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

C23H31N3O4S — CID 58292093

IUPAC4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCC(C(=O)N[C@H](C)c3cccnc3)CC2)cc1C
InChIInChI=1S/C23H31N3O4S/c1-4-30-22-12-11-21(14-16(22)2)31(28,29)26-20-9-7-18(8-10-20)23(27)25-17(3)19-6-5-13-24-15-19/h5-6,11-15,17-18,20,26H,4,7-10H2,1-3H3,(H,25,27)/t17-,18?,20?/m1/s1
InChIKeyKVDBORBZQXUPSN-PGYGNJIDSA-N
MW445.59 g/mol
LogP3.50
Rot. Bonds8

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

4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide (PubChem CID 58292093) 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-3-ylethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
PubChem CID58292093
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCC(C(=O)N[C@H](C)c3cccnc3)CC2)cc1C
InChIInChI=1S/C23H31N3O4S/c1-4-30-22-12-11-21(14-16(22)2)31(28,29)26-20-9-7-18(8-10-20)23(27)25-17(3)19-6-5-13-24-15-19/h5-6,11-15,17-18,20,26H,4,7-10H2,1-3H3,(H,25,27)/t17-,18?,20?/m1/s1
InChIKeyKVDBORBZQXUPSN-PGYGNJIDSA-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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Related Compounds

4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-2-ylethyl]cyclohexane-1-carboxamide
CID 53236475
4-[[4-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]phenyl]sulfonylamino]-N-(1-pyridin-3-ylethyl)cyclohexane-1-carboxamide
CID 123146378
4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
CID 81404724
3-(cyclopropylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide
CID 18163128
4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545155
1-(4-ethoxy-3-methylphenyl)sulfonyl-N-[1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 43873109
4-[(4-acetamido-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 53239403
N-(1-pyridin-3-ylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43066226
N-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide
CID 9157423
methyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate
CID 115617333
4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 7377815
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28554919

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide (CID 58292093) is 4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide is CCOc1ccc(S(=O)(=O)NC2CCC(C(=O)N[C@H](C)c3cccnc3)CC2)cc1C.
What is the InChIKey of 4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide?
The InChIKey is KVDBORBZQXUPSN-PGYGNJIDSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-4-30-22-12-11-21(14-16(22)2)31(28,29)26-20-9-7-18(8-10-20)23(27)25-17(3)19-6-5-13-24-15-19/h5-6,11-15,17-18,20,26H,4,7-10H2,1-3H3,(H,25,27)/t17-,18?,20?/m1/s1.
What are the key properties of 4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide?
4-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-pyridin-3-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-3-ylethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 58292093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).