N-benzyl-2-(3-methylsulfanylbutanoylamino)thiophene-3-carboxamide

C17H20N2O2S2 — CID 143265172

IUPACN-benzyl-2-(3-methylsulfanylbutanoylamino)thiophene-3-carboxamide
SMILESCSC(C)CC(=O)Nc1sccc1C(=O)NCc1ccccc1
InChIInChI=1S/C17H20N2O2S2/c1-12(22-2)10-15(20)19-17-14(8-9-23-17)16(21)18-11-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyUVQBNJQCIOCLOF-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.76
Rot. Bonds7

About N-benzyl-2-(3-methylsulfanylbutanoylamino)thiophene-3-carboxamide

N-benzyl-2-(3-methylsulfanylbutanoylamino)thiophene-3-carboxamide (PubChem CID 143265172) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-benzyl-2-(3-methylsulfanylbutanoylamino)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(3-methylsulfanylbutanoylamino)thiophene-3-carboxamide
PubChem CID143265172
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC NameN-benzyl-2-(3-methylsulfanylbutanoylamino)thiophene-3-carboxamide
SMILESCSC(C)CC(=O)Nc1sccc1C(=O)NCc1ccccc1
InChIInChI=1S/C17H20N2O2S2/c1-12(22-2)10-15(20)19-17-14(8-9-23-17)16(21)18-11-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyUVQBNJQCIOCLOF-UHFFFAOYSA-N
XLogP3.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-methylsulfanylbenzamide
CID 966900
N-benzyl-2-(thiophene-2-carbonyl)benzamide
CID 11960719
N-methyl-2-(4-phenylsulfanylbutanoylamino)thiophene-3-carboxamide
CID 41085896
methyl N-[4-[[[2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carbonyl]amino]methyl]phenyl]carbamate
CID 55963519
methyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate
CID 7167092
2-[(2-chlorobenzoyl)amino]-N-[2-(methylamino)propyl]thiophene-3-carboxamide
CID 120829265
N-benzyl-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 39428057
1-[2-(benzylamino)thiophen-3-yl]ethanone
CID 130875464
N-benzylthiophene-2-carboxamide
CID 574227
2-[(2-chlorobenzoyl)amino]-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride
CID 120829264
2-benzamido-N-benzyl-5-propan-2-ylthiophene-3-carboxamide
CID 140998444
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-methylsulfanylbutanoylamino)thiophene-3-carboxamide?
The IUPAC name of N-benzyl-2-(3-methylsulfanylbutanoylamino)thiophene-3-carboxamide (CID 143265172) is N-benzyl-2-(3-methylsulfanylbutanoylamino)thiophene-3-carboxamide.
What is the SMILES notation for N-benzyl-2-(3-methylsulfanylbutanoylamino)thiophene-3-carboxamide?
The canonical SMILES for N-benzyl-2-(3-methylsulfanylbutanoylamino)thiophene-3-carboxamide is CSC(C)CC(=O)Nc1sccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(3-methylsulfanylbutanoylamino)thiophene-3-carboxamide?
The InChIKey is UVQBNJQCIOCLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c1-12(22-2)10-15(20)19-17-14(8-9-23-17)16(21)18-11-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-benzyl-2-(3-methylsulfanylbutanoylamino)thiophene-3-carboxamide?
N-benzyl-2-(3-methylsulfanylbutanoylamino)thiophene-3-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-methylsulfanylbutanoylamino)thiophene-3-carboxamide is sourced from PubChem (CID 143265172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).