N-benzhydryl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide

C22H24N2O3S2 — CID 15999909

IUPACN-benzhydryl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCC(C)C(NS(=O)(=O)c1cccs1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N2O3S2/c1-16(2)20(24-29(26,27)19-14-9-15-28-19)22(25)23-21(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-16,20-21,24H,1-2H3,(H,23,25)
InChIKeyXBYUOBZYKCMBKF-UHFFFAOYSA-N
MW428.58 g/mol
LogP3.96
Rot. Bonds8

About N-benzhydryl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide

N-benzhydryl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide (PubChem CID 15999909) has the molecular formula C22H24N2O3S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-benzhydryl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound NameN-benzhydryl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
PubChem CID15999909
Molecular FormulaC22H24N2O3S2
Molecular Weight428.58 g/mol
Exact Mass428.12
IUPAC NameN-benzhydryl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCC(C)C(NS(=O)(=O)c1cccs1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N2O3S2/c1-16(2)20(24-29(26,27)19-14-9-15-28-19)22(25)23-21(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-16,20-21,24H,1-2H3,(H,23,25)
InChIKeyXBYUOBZYKCMBKF-UHFFFAOYSA-N
XLogP3.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 26873900
N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 22427284
3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 43005231
3-methyl-N-(4-phenylbutyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 24563572
N-(4-fluorophenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 20965305
N-cyclooctyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 20965302
N-[(S)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 8815899
N-[(R)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 8815903
(2R)-N-(3-methoxypropyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111123
[(2S)-1-anilino-1-oxopropan-2-yl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate
CID 7977405
(2S)-N-[3-[benzyl(methyl)amino]propyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 29296315
tert-butyl (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate
CID 81003022

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The IUPAC name of N-benzhydryl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide (CID 15999909) is N-benzhydryl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide.
What is the SMILES notation for N-benzhydryl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The canonical SMILES for N-benzhydryl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide is CC(C)C(NS(=O)(=O)c1cccs1)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The InChIKey is XBYUOBZYKCMBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S2/c1-16(2)20(24-29(26,27)19-14-9-15-28-19)22(25)23-21(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-16,20-21,24H,1-2H3,(H,23,25).
What are the key properties of N-benzhydryl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
N-benzhydryl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide has a molecular weight of 428.58 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 15999909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).