N-[4-[acetyl(methyl)amino]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide

C19H29N3O4S — CID 20630364

IUPACN-[4-[acetyl(methyl)amino]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
SMILESCC(=O)N(C)c1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)cc1
InChIInChI=1S/C19H29N3O4S/c1-13(2)27(25,26)21-17-7-5-15(6-8-17)19(24)20-16-9-11-18(12-10-16)22(4)14(3)23/h9-13,15,17,21H,5-8H2,1-4H3,(H,20,24)
InChIKeyCISMSMJXKUYUMX-UHFFFAOYSA-N
MW395.53 g/mol
LogP2.49
Rot. Bonds6

About N-[4-[acetyl(methyl)amino]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide

N-[4-[acetyl(methyl)amino]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide (PubChem CID 20630364) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
PubChem CID20630364
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
SMILESCC(=O)N(C)c1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)cc1
InChIInChI=1S/C19H29N3O4S/c1-13(2)27(25,26)21-17-7-5-15(6-8-17)19(24)20-16-9-11-18(12-10-16)22(4)14(3)23/h9-13,15,17,21H,5-8H2,1-4H3,(H,20,24)
InChIKeyCISMSMJXKUYUMX-UHFFFAOYSA-N
XLogP2.49
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630510
N-[4-(4-cyanophenyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630288
N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630584
N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20629868
N-(3,4-diethoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20629662
N-(4-acetylphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide
CID 20630370
N-[4-[(6S)-3-fluoro-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 59582570
N-[4-[acetyl(cyclopropyl)amino]phenyl]cyclopropanecarboxamide
CID 113094031
N-(6-butoxy-3-pyridinyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630803
N-(4-cyclopentyloxy-3-ethylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630560
(1S)-2-[[4-[acetyl(methyl)amino]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 46738320
cis-(1R,2S)-2-[[4-[acetyl(methyl)amino]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 675757

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide (CID 20630364) is N-[4-[acetyl(methyl)amino]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide is CC(=O)N(C)c1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The InChIKey is CISMSMJXKUYUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-13(2)27(25,26)21-17-7-5-15(6-8-17)19(24)20-16-9-11-18(12-10-16)22(4)14(3)23/h9-13,15,17,21H,5-8H2,1-4H3,(H,20,24).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
N-[4-[acetyl(methyl)amino]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 20630364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).