1-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide

C30H35ClF2N4O4S2 — CID 11657540

IUPAC1-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)CCc2cnc(C(C)N(c3cc(F)ccc3F)S(=O)(=O)c3ccc(Cl)cc3)s2)C1
InChIInChI=1S/C30H35ClF2N4O4S2/c1-4-35(5-2)30(39)21-7-6-16-36(19-21)28(38)15-11-24-18-34-29(42-24)20(3)37(27-17-23(32)10-14-26(27)33)43(40,41)25-12-8-22(31)9-13-25/h8-10,12-14,17-18,20-21H,4-7,11,15-16,19H2,1-3H3
InChIKeyNSZAKMXRILZKQQ-UHFFFAOYSA-N
MW653.22 g/mol
LogP6.07
Rot. Bonds11

About 1-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide

1-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide (PubChem CID 11657540) has the molecular formula C30H35ClF2N4O4S2 and a molecular weight of 653.22 g/mol. Its IUPAC name is 1-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide
PubChem CID11657540
Molecular FormulaC30H35ClF2N4O4S2
Molecular Weight653.22 g/mol
Exact Mass652.18
IUPAC Name1-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)CCc2cnc(C(C)N(c3cc(F)ccc3F)S(=O)(=O)c3ccc(Cl)cc3)s2)C1
InChIInChI=1S/C30H35ClF2N4O4S2/c1-4-35(5-2)30(39)21-7-6-16-36(19-21)28(38)15-11-24-18-34-29(42-24)20(3)37(27-17-23(32)10-14-26(27)33)43(40,41)25-12-8-22(31)9-13-25/h8-10,12-14,17-18,20-21H,4-7,11,15-16,19H2,1-3H3
InChIKeyNSZAKMXRILZKQQ-UHFFFAOYSA-N
XLogP6.07
TPSA90.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.22
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide (CID 11657540) is 1-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(C(=O)CCc2cnc(C(C)N(c3cc(F)ccc3F)S(=O)(=O)c3ccc(Cl)cc3)s2)C1.
What is the InChIKey of 1-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is NSZAKMXRILZKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClF2N4O4S2/c1-4-35(5-2)30(39)21-7-6-16-36(19-21)28(38)15-11-24-18-34-29(42-24)20(3)37(27-17-23(32)10-14-26(27)33)43(40,41)25-12-8-22(31)9-13-25/h8-10,12-14,17-18,20-21H,4-7,11,15-16,19H2,1-3H3.
What are the key properties of 1-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide?
1-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 653.22 g/mol, XLogP of 6.07, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 11657540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).