N-(1-amino-2-methylpropan-2-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide

C20H27N3O3S — CID 119523871

IUPACN-(1-amino-2-methylpropan-2-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide
SMILESCc1ccc(S(=O)(=O)N(CCC(=O)NC(C)(C)CN)c2ccccc2)cc1
InChIInChI=1S/C20H27N3O3S/c1-16-9-11-18(12-10-16)27(25,26)23(17-7-5-4-6-8-17)14-13-19(24)22-20(2,3)15-21/h4-12H,13-15,21H2,1-3H3,(H,22,24)
InChIKeyGBMZKYRZHAXKRB-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.43
Rot. Bonds8

About N-(1-amino-2-methylpropan-2-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide

N-(1-amino-2-methylpropan-2-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide (PubChem CID 119523871) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide
PubChem CID119523871
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide
SMILESCc1ccc(S(=O)(=O)N(CCC(=O)NC(C)(C)CN)c2ccccc2)cc1
InChIInChI=1S/C20H27N3O3S/c1-16-9-11-18(12-10-16)27(25,26)23(17-7-5-4-6-8-17)14-13-19(24)22-20(2,3)15-21/h4-12H,13-15,21H2,1-3H3,(H,22,24)
InChIKeyGBMZKYRZHAXKRB-UHFFFAOYSA-N
XLogP2.43
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-3-[N-(benzenesulfonyl)-4-methylanilino]propanamide;hydrochloride
CID 119408323
N-[(2S)-1-aminopropan-2-yl]-3-[N-(benzenesulfonyl)-4-methylanilino]propanamide;hydrochloride
CID 120507664
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide
CID 2577985
(2R)-2-[3-[N-(benzenesulfonyl)-4-methylanilino]propanoylamino]propanoic acid
CID 119243865
2-[3-[N-(benzenesulfonyl)-4-methylanilino]propanoylamino]propanoic acid
CID 119225111
3-[N-(benzenesulfonyl)-4-methylanilino]-N-[2-(ethylamino)ethyl]propanamide
CID 119508722
dimethyl-[(1R)-2-[3-(N-(4-methylphenyl)sulfonylanilino)propanoylamino]-1-phenylethyl]azanium
CID 2577978
3-[N-(benzenesulfonyl)-4-methylanilino]-N-[2-(methylamino)propyl]propanamide
CID 120827257
3-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119433473
tert-butyl N-[3-(N-(4-methylphenyl)sulfonylanilino)propyl]carbamate
CID 19757882
3-(N-(4-tert-butylphenyl)sulfonylanilino)propanamide
CID 38893159
3-(N-(4-methylphenyl)sulfonylanilino)-N-pyrrolidin-3-ylpropanamide
CID 119452704

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide (CID 119523871) is N-(1-amino-2-methylpropan-2-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide is Cc1ccc(S(=O)(=O)N(CCC(=O)NC(C)(C)CN)c2ccccc2)cc1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide?
The InChIKey is GBMZKYRZHAXKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-16-9-11-18(12-10-16)27(25,26)23(17-7-5-4-6-8-17)14-13-19(24)22-20(2,3)15-21/h4-12H,13-15,21H2,1-3H3,(H,22,24).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide?
N-(1-amino-2-methylpropan-2-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide has a molecular weight of 389.52 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide is sourced from PubChem (CID 119523871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).