2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(3-amino-4-methylpentyl)-N-methylacetamide

C18H30N4O4S — CID 119660507

IUPAC2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(3-amino-4-methylpentyl)-N-methylacetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(C)CCC(N)C(C)C)cc1
InChIInChI=1S/C18H30N4O4S/c1-13(2)17(19)10-11-21(4)18(24)12-22(5)27(25,26)16-8-6-15(7-9-16)20-14(3)23/h6-9,13,17H,10-12,19H2,1-5H3,(H,20,23)
InChIKeyRLRJZBIKBRPYDF-UHFFFAOYSA-N
MW398.53 g/mol
LogP1.10
Rot. Bonds9

About 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(3-amino-4-methylpentyl)-N-methylacetamide

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(3-amino-4-methylpentyl)-N-methylacetamide (PubChem CID 119660507) has the molecular formula C18H30N4O4S and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(3-amino-4-methylpentyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(3-amino-4-methylpentyl)-N-methylacetamide
PubChem CID119660507
Molecular FormulaC18H30N4O4S
Molecular Weight398.53 g/mol
Exact Mass398.20
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(3-amino-4-methylpentyl)-N-methylacetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(C)CCC(N)C(C)C)cc1
InChIInChI=1S/C18H30N4O4S/c1-13(2)17(19)10-11-21(4)18(24)12-22(5)27(25,26)16-8-6-15(7-9-16)20-14(3)23/h6-9,13,17H,10-12,19H2,1-5H3,(H,20,23)
InChIKeyRLRJZBIKBRPYDF-UHFFFAOYSA-N
XLogP1.10
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-aminopropyl(methyl)sulfamoyl]phenyl]acetamide
CID 63766968
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 43022013
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(2S)-1-aminopropan-2-yl]acetamide
CID 120505509
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 9368344
N-[5-[(3-amino-4-methylpentyl)-methylsulfamoyl]-2-fluorophenyl]acetamide
CID 119992394
methyl 3-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]-(2-methylpropyl)amino]propanoate
CID 55819970
2-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]-N,N-dimethylacetamide
CID 55378326
N-(3-amino-4-methylpentyl)-4-iodo-N-methylbenzenesulfonamide
CID 115317712
N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119991959
ethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;hydrochloride
CID 119992233
N-(3-amino-4-methylpentyl)-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide;hydrochloride
CID 119658419
[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate
CID 9455488

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(3-amino-4-methylpentyl)-N-methylacetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(3-amino-4-methylpentyl)-N-methylacetamide (CID 119660507) is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(3-amino-4-methylpentyl)-N-methylacetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(3-amino-4-methylpentyl)-N-methylacetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(3-amino-4-methylpentyl)-N-methylacetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(C)CCC(N)C(C)C)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(3-amino-4-methylpentyl)-N-methylacetamide?
The InChIKey is RLRJZBIKBRPYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4S/c1-13(2)17(19)10-11-21(4)18(24)12-22(5)27(25,26)16-8-6-15(7-9-16)20-14(3)23/h6-9,13,17H,10-12,19H2,1-5H3,(H,20,23).
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(3-amino-4-methylpentyl)-N-methylacetamide?
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(3-amino-4-methylpentyl)-N-methylacetamide has a molecular weight of 398.53 g/mol, XLogP of 1.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(3-amino-4-methylpentyl)-N-methylacetamide is sourced from PubChem (CID 119660507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).