N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide

C20H33N3O5S — CID 24550008

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide
SMILESCOc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N(C)CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C20H33N3O5S/c1-14(2)12-17(19(25)23(6)13-18(24)21-20(3,4)5)22-29(26,27)16-10-8-15(28-7)9-11-16/h8-11,14,17,22H,12-13H2,1-7H3,(H,21,24)
InChIKeyUQVQOWWRPRBQDJ-UHFFFAOYSA-N
MW427.57 g/mol
LogP1.76
Rot. Bonds9

About N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide (PubChem CID 24550008) has the molecular formula C20H33N3O5S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide
PubChem CID24550008
Molecular FormulaC20H33N3O5S
Molecular Weight427.57 g/mol
Exact Mass427.21
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide
SMILESCOc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N(C)CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C20H33N3O5S/c1-14(2)12-17(19(25)23(6)13-18(24)21-20(3,4)5)22-29(26,27)16-10-8-15(28-7)9-11-16/h8-11,14,17,22H,12-13H2,1-7H3,(H,21,24)
InChIKeyUQVQOWWRPRBQDJ-UHFFFAOYSA-N
XLogP1.76
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-methoxyphenoxy)-N-methylpropanamide
CID 51327712
N-[(5-bromothiophen-2-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide
CID 24547346
(2R)-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
CID 135877077
4-methoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzenesulfonamide
CID 110285725
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 43002336
methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 57153558
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
(2S)-N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide
CID 8572325
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-chlorophenoxy)-N-methylpropanamide
CID 99643676
N-tert-butyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151280
3-[(4-methoxyphenyl)sulfonylamino]propyl N-tert-butylcarbamate
CID 90839007
methyl 2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoate
CID 2765031

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide (CID 24550008) is N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide is COc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N(C)CC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide?
The InChIKey is UQVQOWWRPRBQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O5S/c1-14(2)12-17(19(25)23(6)13-18(24)21-20(3,4)5)22-29(26,27)16-10-8-15(28-7)9-11-16/h8-11,14,17,22H,12-13H2,1-7H3,(H,21,24).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide has a molecular weight of 427.57 g/mol, XLogP of 1.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide is sourced from PubChem (CID 24550008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).