N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(cyclopropanecarbonylamino)benzamide

C21H20N2O3S — CID 97017538

IUPACN-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(cyclopropanecarbonylamino)benzamide
SMILESO=C(NC[C@@H](O)c1cc2ccccc2s1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H20N2O3S/c24-17(19-11-15-3-1-2-4-18(15)27-19)12-22-20(25)13-7-9-16(10-8-13)23-21(26)14-5-6-14/h1-4,7-11,14,17,24H,5-6,12H2,(H,22,25)(H,23,26)/t17-/m1/s1
InChIKeyGBWVHRYWJHUCBS-QGZVFWFLSA-N
MW380.47 g/mol
LogP3.71
Rot. Bonds6

About N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(cyclopropanecarbonylamino)benzamide

N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(cyclopropanecarbonylamino)benzamide (PubChem CID 97017538) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(cyclopropanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(cyclopropanecarbonylamino)benzamide
PubChem CID97017538
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(cyclopropanecarbonylamino)benzamide
SMILESO=C(NC[C@@H](O)c1cc2ccccc2s1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H20N2O3S/c24-17(19-11-15-3-1-2-4-18(15)27-19)12-22-20(25)13-7-9-16(10-8-13)23-21(26)14-5-6-14/h1-4,7-11,14,17,24H,5-6,12H2,(H,22,25)(H,23,26)/t17-/m1/s1
InChIKeyGBWVHRYWJHUCBS-QGZVFWFLSA-N
XLogP3.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclobutanecarbonylamino)-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 95124395
4-(cyclobutanecarbonylamino)-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 95124394
4-(cyclopropanecarbonylamino)-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 111102382
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1,2-oxazole-3-carboxamide
CID 97084288
(3R)-N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 97017532
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide
CID 97073876
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide
CID 97084277
N-[2-[1-(1-benzothiophen-2-yl)ethylamino]ethyl]cyclopropanecarboxamide
CID 114910077
4-(cyclobutanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 47309837
(3R)-3-(1-benzothiophen-2-yl)-3-hydroxypropanoic acid
CID 102424617
2-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243250
4-(cyclopropanecarbonylamino)-N-[(3-methylphenyl)methyl]benzamide
CID 33279074

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(cyclopropanecarbonylamino)benzamide?
The IUPAC name of N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(cyclopropanecarbonylamino)benzamide (CID 97017538) is N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(cyclopropanecarbonylamino)benzamide.
What is the SMILES notation for N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(cyclopropanecarbonylamino)benzamide?
The canonical SMILES for N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(cyclopropanecarbonylamino)benzamide is O=C(NC[C@@H](O)c1cc2ccccc2s1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(cyclopropanecarbonylamino)benzamide?
The InChIKey is GBWVHRYWJHUCBS-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20N2O3S/c24-17(19-11-15-3-1-2-4-18(15)27-19)12-22-20(25)13-7-9-16(10-8-13)23-21(26)14-5-6-14/h1-4,7-11,14,17,24H,5-6,12H2,(H,22,25)(H,23,26)/t17-/m1/s1.
What are the key properties of N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(cyclopropanecarbonylamino)benzamide?
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(cyclopropanecarbonylamino)benzamide has a molecular weight of 380.47 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(cyclopropanecarbonylamino)benzamide is sourced from PubChem (CID 97017538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).