2-[(4-butan-2-ylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide

C17H28N2O3S — CID 42912907

IUPAC2-[(4-butan-2-ylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
SMILESCCC(C)c1ccc(S(=O)(=O)N(CC)CC(=O)NC(C)C)cc1
InChIInChI=1S/C17H28N2O3S/c1-6-14(5)15-8-10-16(11-9-15)23(21,22)19(7-2)12-17(20)18-13(3)4/h8-11,13-14H,6-7,12H2,1-5H3,(H,18,20)
InChIKeySQFGJWBAFNMRNW-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.74
Rot. Bonds8

About 2-[(4-butan-2-ylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide

2-[(4-butan-2-ylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide (PubChem CID 42912907) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-[(4-butan-2-ylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-butan-2-ylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
PubChem CID42912907
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name2-[(4-butan-2-ylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
SMILESCCC(C)c1ccc(S(=O)(=O)N(CC)CC(=O)NC(C)C)cc1
InChIInChI=1S/C17H28N2O3S/c1-6-14(5)15-8-10-16(11-9-15)23(21,22)19(7-2)12-17(20)18-13(3)4/h8-11,13-14H,6-7,12H2,1-5H3,(H,18,20)
InChIKeySQFGJWBAFNMRNW-UHFFFAOYSA-N
XLogP2.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-butan-2-ylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide 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-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
CID 28547717
N-[1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 43872409
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 28547139
N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 4301159
2-[(3-amino-4-methylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
CID 61127922
2-[[4-[(2R)-butan-2-yl]phenyl]sulfonyl-ethylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 124772164
N-tert-butyl-2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 51169159
2-[(4-butan-2-ylphenyl)sulfonyl-propylamino]acetic acid
CID 61007380
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 125044508
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 43872531
2-[ethyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28547067
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 28547921

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butan-2-ylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-butan-2-ylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide (CID 42912907) is 2-[(4-butan-2-ylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-butan-2-ylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-butan-2-ylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide is CCC(C)c1ccc(S(=O)(=O)N(CC)CC(=O)NC(C)C)cc1.
What is the InChIKey of 2-[(4-butan-2-ylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is SQFGJWBAFNMRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-6-14(5)15-8-10-16(11-9-15)23(21,22)19(7-2)12-17(20)18-13(3)4/h8-11,13-14H,6-7,12H2,1-5H3,(H,18,20).
What are the key properties of 2-[(4-butan-2-ylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide?
2-[(4-butan-2-ylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 340.49 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butan-2-ylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 42912907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).