N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]-1-benzothiophene-2-carboxamide

C18H18N2O3S2 — CID 51942414

IUPACN-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]-1-benzothiophene-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2ccccc2s1)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C18H18N2O3S2/c1-12(13-7-5-8-15(10-13)20-25(2,22)23)19-18(21)17-11-14-6-3-4-9-16(14)24-17/h3-12,20H,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyQNTRNEMPHKZMRY-GFCCVEGCSA-N
MW374.49 g/mol
LogP3.76
Rot. Bonds5

About N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]-1-benzothiophene-2-carboxamide

N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 51942414) has the molecular formula C18H18N2O3S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]-1-benzothiophene-2-carboxamide
PubChem CID51942414
Molecular FormulaC18H18N2O3S2
Molecular Weight374.49 g/mol
Exact Mass374.08
IUPAC NameN-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]-1-benzothiophene-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2ccccc2s1)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C18H18N2O3S2/c1-12(13-7-5-8-15(10-13)20-25(2,22)23)19-18(21)17-11-14-6-3-4-9-16(14)24-17/h3-12,20H,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyQNTRNEMPHKZMRY-GFCCVEGCSA-N
XLogP3.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 134049414
N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 146088412
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 55580755
N-[1-(3-acetamidophenyl)ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 43057862
N-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 71939059
1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea
CID 94196351
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide
CID 55837471
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 24568455
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60512827
N-but-3-yn-2-yl-1-benzothiophene-2-carboxamide
CID 114389678
N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-4-(methoxymethyl)benzamide
CID 51947344
N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 79252054

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]-1-benzothiophene-2-carboxamide (CID 51942414) is N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]-1-benzothiophene-2-carboxamide is C[C@@H](NC(=O)c1cc2ccccc2s1)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is QNTRNEMPHKZMRY-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18N2O3S2/c1-12(13-7-5-8-15(10-13)20-25(2,22)23)19-18(21)17-11-14-6-3-4-9-16(14)24-17/h3-12,20H,1-2H3,(H,19,21)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]-1-benzothiophene-2-carboxamide?
N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 51942414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).