N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide

C19H31N3O4S — CID 55947693

IUPACN-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C(NC(=O)CC(C)C)C(C)C)cc1C
InChIInChI=1S/C19H31N3O4S/c1-7-27(25,26)22-16-9-8-15(11-14(16)6)20-19(24)18(13(4)5)21-17(23)10-12(2)3/h8-9,11-13,18,22H,7,10H2,1-6H3,(H,20,24)(H,21,23)
InChIKeyAWUXPRKGXCULLS-UHFFFAOYSA-N
MW397.54 g/mol
LogP2.88
Rot. Bonds9

About N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide

N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide (PubChem CID 55947693) has the molecular formula C19H31N3O4S and a molecular weight of 397.54 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide
PubChem CID55947693
Molecular FormulaC19H31N3O4S
Molecular Weight397.54 g/mol
Exact Mass397.20
IUPAC NameN-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C(NC(=O)CC(C)C)C(C)C)cc1C
InChIInChI=1S/C19H31N3O4S/c1-7-27(25,26)22-16-9-8-15(11-14(16)6)20-19(24)18(13(4)5)21-17(23)10-12(2)3/h8-9,11-13,18,22H,7,10H2,1-6H3,(H,20,24)(H,21,23)
InChIKeyAWUXPRKGXCULLS-UHFFFAOYSA-N
XLogP2.88
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride
CID 119298074
(2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide
CID 34977565
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide
CID 34169606
2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 119739287
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methyl-2-(3-methylbutanoylamino)butanamide
CID 55874596
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120788893
3-(3,4-dimethylphenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]propanamide
CID 55982530
ethyl N-[1-(3,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 42958750
2-(2,5-dichlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 60552730
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-3-(methylamino)propanamide
CID 79195858
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-methylpentanamide
CID 119739311
N-[2-[4-(ethylsulfonylamino)-3-methylanilino]-2-oxoethyl]adamantane-1-carboxamide
CID 55948833

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide?
The IUPAC name of N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide (CID 55947693) is N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide is CCS(=O)(=O)Nc1ccc(NC(=O)C(NC(=O)CC(C)C)C(C)C)cc1C.
What is the InChIKey of N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide?
The InChIKey is AWUXPRKGXCULLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S/c1-7-27(25,26)22-16-9-8-15(11-14(16)6)20-19(24)18(13(4)5)21-17(23)10-12(2)3/h8-9,11-13,18,22H,7,10H2,1-6H3,(H,20,24)(H,21,23).
What are the key properties of N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide?
N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide has a molecular weight of 397.54 g/mol, XLogP of 2.88, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methyl-2-(3-methylbutanoylamino)butanamide is sourced from PubChem (CID 55947693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).