(2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide

C17H28N4O4S — CID 8017826

IUPAC(2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](NC(N)=O)C(C)C)ccc1C
InChIInChI=1S/C17H28N4O4S/c1-6-21(7-2)26(24,25)14-10-13(9-8-12(14)5)19-16(22)15(11(3)4)20-17(18)23/h8-11,15H,6-7H2,1-5H3,(H,19,22)(H3,18,20,23)/t15-/m0/s1
InChIKeyQZAVVFKEDDUHGP-HNNXBMFYSA-N
MW384.50 g/mol
LogP1.66
Rot. Bonds8

About (2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide

(2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide (PubChem CID 8017826) has the molecular formula C17H28N4O4S and a molecular weight of 384.50 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
PubChem CID8017826
Molecular FormulaC17H28N4O4S
Molecular Weight384.50 g/mol
Exact Mass384.18
IUPAC Name(2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](NC(N)=O)C(C)C)ccc1C
InChIInChI=1S/C17H28N4O4S/c1-6-21(7-2)26(24,25)14-10-13(9-8-12(14)5)19-16(22)15(11(3)4)20-17(18)23/h8-11,15H,6-7H2,1-5H3,(H,19,22)(H3,18,20,23)/t15-/m0/s1
InChIKeyQZAVVFKEDDUHGP-HNNXBMFYSA-N
XLogP1.66
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-Acetylamino-benzenesulfonylamino)-2-oxo-6-phenyl-2H-pyridin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10416037
2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 3576110
N-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamothioyl]cyclopentanecarboxamide
CID 3667035
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 3573716
N-cyclopropyl-2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2226534
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 3657707
N-[3-(diethylsulfamoyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3899374
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 3992902
2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 4195515
2-(2,4-diketo-6-methyl-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-piperidinosulfonyl-phenyl)acetamide
CID 4235176
N-(4-cyanophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)propanamide
CID 4371196

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide (CID 8017826) is (2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](NC(N)=O)C(C)C)ccc1C.
What is the InChIKey of (2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide?
The InChIKey is QZAVVFKEDDUHGP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N4O4S/c1-6-21(7-2)26(24,25)14-10-13(9-8-12(14)5)19-16(22)15(11(3)4)20-17(18)23/h8-11,15H,6-7H2,1-5H3,(H,19,22)(H3,18,20,23)/t15-/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide?
(2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide has a molecular weight of 384.50 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide is sourced from PubChem (CID 8017826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).