N-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide

C17H22N2O3S2 — CID 6619218

IUPACN-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCC(C)C(NS(=O)(=O)c1cccs1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C17H22N2O3S2/c1-13(2)16(18-24(21,22)15-10-7-11-23-15)17(20)19(3)12-14-8-5-4-6-9-14/h4-11,13,16,18H,12H2,1-3H3
InChIKeyOYZQXDVCTKOUTO-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.71
Rot. Bonds7

About N-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide

N-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide (PubChem CID 6619218) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound NameN-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide
PubChem CID6619218
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC NameN-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCC(C)C(NS(=O)(=O)c1cccs1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C17H22N2O3S2/c1-13(2)16(18-24(21,22)15-10-7-11-23-15)17(20)19(3)12-14-8-5-4-6-9-14/h4-11,13,16,18H,12H2,1-3H3
InChIKeyOYZQXDVCTKOUTO-UHFFFAOYSA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 694792
2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 2118296
N'-[(2-methylphenyl)methyl]-N-[2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethyl]ethanediamide
CID 16032240
3-(dimethylsulfamoyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4788844
N-(thien-2-ylmethyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 3237775
N-[(4-methylphenyl)methyl]-4-[(thiophene-2-sulfonamido)methyl]cyclohexane-1-carboxamide
CID 5322912
N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5322919
N-[4-(Diethylamino)-2-methylphenyl]-3-methyl-2-(thiophene-2-sulfonamido)butanamide
CID 15988648
N-(2-phenylethyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 15997729
(2S)-N-[[5-(aminomethyl)thiophen-3-yl]methyl]-1-[(2R)-2-(methanesulfonamido)-3,3-diphenylpropanoyl]pyrrolidine-2-carboxamide
CID 44264834
(2S)-N-[[4-(aminomethyl)thiophen-2-yl]methyl]-1-[(2R)-2-(methanesulfonamido)-3,3-diphenylpropanoyl]pyrrolidine-2-carboxamide
CID 44264854
N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-5-(4-methylphenyl)thiophene-2-sulfonamide
CID 57401585

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The IUPAC name of N-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide (CID 6619218) is N-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide.
What is the SMILES notation for N-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The canonical SMILES for N-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide is CC(C)C(NS(=O)(=O)c1cccs1)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The InChIKey is OYZQXDVCTKOUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-13(2)16(18-24(21,22)15-10-7-11-23-15)17(20)19(3)12-14-8-5-4-6-9-14/h4-11,13,16,18H,12H2,1-3H3.
What are the key properties of N-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide?
N-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide has a molecular weight of 366.51 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 6619218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).