4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-2-ylethyl]cyclohexane-1-carboxamide

C23H31N3O4S — CID 53236475

IUPAC4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-2-ylethyl]cyclohexane-1-carboxamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCC(C(=O)N[C@H](C)c3ccccn3)CC2)cc1C
InChIInChI=1S/C23H31N3O4S/c1-4-30-22-13-12-20(15-16(22)2)31(28,29)26-19-10-8-18(9-11-19)23(27)25-17(3)21-7-5-6-14-24-21/h5-7,12-15,17-19,26H,4,8-11H2,1-3H3,(H,25,27)/t17-,18?,19?/m1/s1
InChIKeyQZADLYNXZFMJME-LMDPOFIKSA-N
MW445.59 g/mol
LogP3.50
Rot. Bonds8

About 4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-2-ylethyl]cyclohexane-1-carboxamide

4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-2-ylethyl]cyclohexane-1-carboxamide (PubChem CID 53236475) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is 4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-2-ylethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-2-ylethyl]cyclohexane-1-carboxamide
PubChem CID53236475
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-2-ylethyl]cyclohexane-1-carboxamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCC(C(=O)N[C@H](C)c3ccccn3)CC2)cc1C
InChIInChI=1S/C23H31N3O4S/c1-4-30-22-13-12-20(15-16(22)2)31(28,29)26-19-10-8-18(9-11-19)23(27)25-17(3)21-7-5-6-14-24-21/h5-7,12-15,17-19,26H,4,8-11H2,1-3H3,(H,25,27)/t17-,18?,19?/m1/s1
InChIKeyQZADLYNXZFMJME-LMDPOFIKSA-N
XLogP3.50
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-2-ylethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-2-ylethyl]cyclohexane-1-carboxamide (CID 53236475) is 4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-2-ylethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-2-ylethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-2-ylethyl]cyclohexane-1-carboxamide is CCOc1ccc(S(=O)(=O)NC2CCC(C(=O)N[C@H](C)c3ccccn3)CC2)cc1C.
What is the InChIKey of 4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-2-ylethyl]cyclohexane-1-carboxamide?
The InChIKey is QZADLYNXZFMJME-LMDPOFIKSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-4-30-22-13-12-20(15-16(22)2)31(28,29)26-19-10-8-18(9-11-19)23(27)25-17(3)21-7-5-6-14-24-21/h5-7,12-15,17-19,26H,4,8-11H2,1-3H3,(H,25,27)/t17-,18?,19?/m1/s1.
What are the key properties of 4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-2-ylethyl]cyclohexane-1-carboxamide?
4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-2-ylethyl]cyclohexane-1-carboxamide has a molecular weight of 445.59 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-2-ylethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 53236475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).