N-[1-[[4-[(4-chlorophenyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C26H35ClN4O4S — CID 155557475

IUPACN-[1-[[4-[(4-chlorophenyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)CC2CCC(NCc3ccc(Cl)cc3)CC2)CC1)c1cc(C2CC2)on1
InChIInChI=1S/C26H35ClN4O4S/c27-21-7-1-18(2-8-21)16-28-22-9-3-19(4-10-22)17-36(33,34)31-13-11-23(12-14-31)29-26(32)24-15-25(35-30-24)20-5-6-20/h1-2,7-8,15,19-20,22-23,28H,3-6,9-14,16-17H2,(H,29,32)
InChIKeyJUWNGVAVNFXMQP-UHFFFAOYSA-N
MW535.11 g/mol
LogP4.08
Rot. Bonds9

About N-[1-[[4-[(4-chlorophenyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[1-[[4-[(4-chlorophenyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 155557475) has the molecular formula C26H35ClN4O4S and a molecular weight of 535.11 g/mol. Its IUPAC name is N-[1-[[4-[(4-chlorophenyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-[(4-chlorophenyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID155557475
Molecular FormulaC26H35ClN4O4S
Molecular Weight535.11 g/mol
Exact Mass534.21
IUPAC NameN-[1-[[4-[(4-chlorophenyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)CC2CCC(NCc3ccc(Cl)cc3)CC2)CC1)c1cc(C2CC2)on1
InChIInChI=1S/C26H35ClN4O4S/c27-21-7-1-18(2-8-21)16-28-22-9-3-19(4-10-22)17-36(33,34)31-13-11-23(12-14-31)29-26(32)24-15-25(35-30-24)20-5-6-20/h1-2,7-8,15,19-20,22-23,28H,3-6,9-14,16-17H2,(H,29,32)
InChIKeyJUWNGVAVNFXMQP-UHFFFAOYSA-N
XLogP4.08
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.11
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[[4-[(4-chlorophenyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-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 N-[1-[[4-[(4-chlorophenyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[[4-[(4-chlorophenyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 155557475) is N-[1-[[4-[(4-chlorophenyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[[4-[(4-chlorophenyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[[4-[(4-chlorophenyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is O=C(NC1CCN(S(=O)(=O)CC2CCC(NCc3ccc(Cl)cc3)CC2)CC1)c1cc(C2CC2)on1.
What is the InChIKey of N-[1-[[4-[(4-chlorophenyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is JUWNGVAVNFXMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN4O4S/c27-21-7-1-18(2-8-21)16-28-22-9-3-19(4-10-22)17-36(33,34)31-13-11-23(12-14-31)29-26(32)24-15-25(35-30-24)20-5-6-20/h1-2,7-8,15,19-20,22-23,28H,3-6,9-14,16-17H2,(H,29,32).
What are the key properties of N-[1-[[4-[(4-chlorophenyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[1-[[4-[(4-chlorophenyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 535.11 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-[(4-chlorophenyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155557475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).