N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide

C17H20N2O2S — CID 143199386

IUPACN-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide
SMILESNC(=O)[C@H](CC1CCCC1)NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C17H20N2O2S/c18-16(20)13(9-11-5-1-2-6-11)19-17(21)15-10-12-7-3-4-8-14(12)22-15/h3-4,7-8,10-11,13H,1-2,5-6,9H2,(H2,18,20)(H,19,21)/t13-/m0/s1
InChIKeyJFSZNORQNTWVIV-ZDUSSCGKSA-N
MW316.43 g/mol
LogP3.07
Rot. Bonds5

About N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide

N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 143199386) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID143199386
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide
SMILESNC(=O)[C@H](CC1CCCC1)NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C17H20N2O2S/c18-16(20)13(9-11-5-1-2-6-11)19-17(21)15-10-12-7-3-4-8-14(12)22-15/h3-4,7-8,10-11,13H,1-2,5-6,9H2,(H2,18,20)(H,19,21)/t13-/m0/s1
InChIKeyJFSZNORQNTWVIV-ZDUSSCGKSA-N
XLogP3.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-1-benzothiophene-2-carboxamide
CID 106737595
2-(1-benzothiophene-2-carbonylamino)pentanediamide
CID 143993335
N-(2-amino-1-cyclopropylethyl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 119613670
2-(1-benzothiophene-2-carbonylamino)butanoic acid
CID 43388189
N-[(2S)-1-[[4-(benzenesulfonyl)morpholin-2-yl]methylamino]-3-cyclohexyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide
CID 11950863
N-[2-(aminomethyl)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 119609795
N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-1-benzothiophene-2-carboxamide
CID 68948097
(2S)-2-(1-benzothiophene-2-carbonylamino)-4-hydroxybutanoic acid
CID 107821667
2-(1-benzothiophene-2-carbonylamino)-3-phenylpropanoic acid
CID 70557372
N-[(2S)-1-[[1-(2-cyanophenyl)sulfonylazepan-4-yl]amino]-3-cyclopentyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide
CID 59027962
N-[(2S)-1-[[(2S)-4-(benzylamino)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide
CID 146362665
(1-benzothiophene-2-carbonylamino)urea
CID 57488392

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide (CID 143199386) is N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide is NC(=O)[C@H](CC1CCCC1)NC(=O)c1cc2ccccc2s1.
What is the InChIKey of N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is JFSZNORQNTWVIV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O2S/c18-16(20)13(9-11-5-1-2-6-11)19-17(21)15-10-12-7-3-4-8-14(12)22-15/h3-4,7-8,10-11,13H,1-2,5-6,9H2,(H2,18,20)(H,19,21)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide?
N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 143199386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).