4-methyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]cyclohexyl]methyl]benzenesulfonamide

C21H26N4O4S — CID 11154648

IUPAC4-methyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]cyclohexyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCC(C(=O)NNC(=O)c3ccccn3)CC2)cc1
InChIInChI=1S/C21H26N4O4S/c1-15-5-11-18(12-6-15)30(28,29)23-14-16-7-9-17(10-8-16)20(26)24-25-21(27)19-4-2-3-13-22-19/h2-6,11-13,16-17,23H,7-10,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyVWINWDYTZRPRBC-UHFFFAOYSA-N
MW430.53 g/mol
LogP1.94
Rot. Bonds6

About 4-methyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]cyclohexyl]methyl]benzenesulfonamide

4-methyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]cyclohexyl]methyl]benzenesulfonamide (PubChem CID 11154648) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is 4-methyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]cyclohexyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]cyclohexyl]methyl]benzenesulfonamide
PubChem CID11154648
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name4-methyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]cyclohexyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCC(C(=O)NNC(=O)c3ccccn3)CC2)cc1
InChIInChI=1S/C21H26N4O4S/c1-15-5-11-18(12-6-15)30(28,29)23-14-16-7-9-17(10-8-16)20(26)24-25-21(27)19-4-2-3-13-22-19/h2-6,11-13,16-17,23H,7-10,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyVWINWDYTZRPRBC-UHFFFAOYSA-N
XLogP1.94
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[[4-[(pentanoylamino)carbamoyl]cyclohexyl]methyl]benzenesulfonamide
CID 70167361
N'-(4-methylphenyl)sulfonylpyridine-2-carbohydrazide
CID 26951444
N-[(4-methylphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 4156842
4-bromo-N-[[4-[(pyridine-3-carbonylamino)carbamoyl]cyclohexyl]methyl]benzenesulfonamide
CID 11156177
4-[[(4-methylphenyl)sulfonylamino]methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 5323340
N-[[4-[(pyridine-3-carbonylamino)carbamoyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 11784998
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 71710458
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 73258383
4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-cyclooctylcyclohexane-1-carboxamide
CID 5323384
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
CID 71213352
N-butyl-N-methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 15995514
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]cyclohexyl]methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]cyclohexyl]methyl]benzenesulfonamide (CID 11154648) is 4-methyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]cyclohexyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]cyclohexyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]cyclohexyl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)NNC(=O)c3ccccn3)CC2)cc1.
What is the InChIKey of 4-methyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]cyclohexyl]methyl]benzenesulfonamide?
The InChIKey is VWINWDYTZRPRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-15-5-11-18(12-6-15)30(28,29)23-14-16-7-9-17(10-8-16)20(26)24-25-21(27)19-4-2-3-13-22-19/h2-6,11-13,16-17,23H,7-10,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-methyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]cyclohexyl]methyl]benzenesulfonamide?
4-methyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]cyclohexyl]methyl]benzenesulfonamide has a molecular weight of 430.53 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]cyclohexyl]methyl]benzenesulfonamide is sourced from PubChem (CID 11154648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).