4-cyclopropylsulfonyl-N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]piperazine-1-carboxamide

C25H24Cl2FN5O4S — CID 142458747

IUPAC4-cyclopropylsulfonyl-N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1cc(Cl)c(C2(c3noc(-c4ccc(F)cc4)n3)CC2)c(Cl)c1)N1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C25H24Cl2FN5O4S/c26-19-13-17(29-24(34)32-9-11-33(12-10-32)38(35,36)18-5-6-18)14-20(27)21(19)25(7-8-25)23-30-22(37-31-23)15-1-3-16(28)4-2-15/h1-4,13-14,18H,5-12H2,(H,29,34)
InChIKeyZNHPICAECQAQMF-UHFFFAOYSA-N
MW580.47 g/mol
LogP4.90
Rot. Bonds6

About 4-cyclopropylsulfonyl-N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]piperazine-1-carboxamide

4-cyclopropylsulfonyl-N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]piperazine-1-carboxamide (PubChem CID 142458747) has the molecular formula C25H24Cl2FN5O4S and a molecular weight of 580.47 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]piperazine-1-carboxamide
PubChem CID142458747
Molecular FormulaC25H24Cl2FN5O4S
Molecular Weight580.47 g/mol
Exact Mass579.09
IUPAC Name4-cyclopropylsulfonyl-N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1cc(Cl)c(C2(c3noc(-c4ccc(F)cc4)n3)CC2)c(Cl)c1)N1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C25H24Cl2FN5O4S/c26-19-13-17(29-24(34)32-9-11-33(12-10-32)38(35,36)18-5-6-18)14-20(27)21(19)25(7-8-25)23-30-22(37-31-23)15-1-3-16(28)4-2-15/h1-4,13-14,18H,5-12H2,(H,29,34)
InChIKeyZNHPICAECQAQMF-UHFFFAOYSA-N
XLogP4.90
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-cyclopropylsulfonyl-N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-3-(4-ethylsulfonylphenyl)urea
CID 135364002
N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-[4-ethylsulfonyl-N-(oxetan-3-yl)anilino]acetamide
CID 134176418
2-[4-(cyclopropylamino)sulfanylphenyl]-N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]acetamide
CID 134179939
N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-[(5-ethylsulfonyl-2-pyridinyl)-methylamino]acetamide
CID 134176149
N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 146433984
N-[3-chloro-5-fluoro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 134179908
1-[4-[2-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]anilino]-2-oxoethyl]phenyl]ethanesulfinate
CID 138621339
N-[3,5-dichloro-4-[1-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 134179711
1-[4-[2-[3-chloro-5-fluoro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]anilino]-2-oxoethyl]phenyl]ethanesulfinate
CID 138621318
N-[3,5-difluoro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 134179719
1-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-3-(6-ethylsulfonyl-3-pyridinyl)propan-2-one
CID 161176485
N-[3,5-dichloro-4-[1-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-[4-ethylsulfonyl-N-(2,2,2-trifluoroethyl)anilino]acetamide
CID 134176362

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-cyclopropylsulfonyl-N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]piperazine-1-carboxamide (CID 142458747) is 4-cyclopropylsulfonyl-N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopropylsulfonyl-N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-cyclopropylsulfonyl-N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]piperazine-1-carboxamide is O=C(Nc1cc(Cl)c(C2(c3noc(-c4ccc(F)cc4)n3)CC2)c(Cl)c1)N1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]piperazine-1-carboxamide?
The InChIKey is ZNHPICAECQAQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2FN5O4S/c26-19-13-17(29-24(34)32-9-11-33(12-10-32)38(35,36)18-5-6-18)14-20(27)21(19)25(7-8-25)23-30-22(37-31-23)15-1-3-16(28)4-2-15/h1-4,13-14,18H,5-12H2,(H,29,34).
What are the key properties of 4-cyclopropylsulfonyl-N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]piperazine-1-carboxamide?
4-cyclopropylsulfonyl-N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]piperazine-1-carboxamide has a molecular weight of 580.47 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-N-[3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 142458747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).