5-chloro-N-[(3R,4S)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]oxolan-3-yl]thiophene-2-carboxamide

C21H22ClN3O4S — CID 90891307

IUPAC5-chloro-N-[(3R,4S)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]oxolan-3-yl]thiophene-2-carboxamide
SMILESO=C(N[C@@H]1COC[C@@H]1NC(=O)c1ccc(Cl)s1)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C21H22ClN3O4S/c22-18-9-8-17(30-18)21(28)24-16-12-29-11-15(16)23-20(27)13-4-6-14(7-5-13)25-10-2-1-3-19(25)26/h4-9,15-16H,1-3,10-12H2,(H,23,27)(H,24,28)/t15-,16+/m1/s1
InChIKeyMUBOHFQEYFYHND-CVEARBPZSA-N
MW447.94 g/mol
LogP2.85
Rot. Bonds5

About 5-chloro-N-[(3R,4S)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]oxolan-3-yl]thiophene-2-carboxamide

5-chloro-N-[(3R,4S)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]oxolan-3-yl]thiophene-2-carboxamide (PubChem CID 90891307) has the molecular formula C21H22ClN3O4S and a molecular weight of 447.94 g/mol. Its IUPAC name is 5-chloro-N-[(3R,4S)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]oxolan-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3R,4S)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]oxolan-3-yl]thiophene-2-carboxamide
PubChem CID90891307
Molecular FormulaC21H22ClN3O4S
Molecular Weight447.94 g/mol
Exact Mass447.10
IUPAC Name5-chloro-N-[(3R,4S)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]oxolan-3-yl]thiophene-2-carboxamide
SMILESO=C(N[C@@H]1COC[C@@H]1NC(=O)c1ccc(Cl)s1)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C21H22ClN3O4S/c22-18-9-8-17(30-18)21(28)24-16-12-29-11-15(16)23-20(27)13-4-6-14(7-5-13)25-10-2-1-3-19(25)26/h4-9,15-16H,1-3,10-12H2,(H,23,27)(H,24,28)/t15-,16+/m1/s1
InChIKeyMUBOHFQEYFYHND-CVEARBPZSA-N
XLogP2.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.94
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]pyrrolidine-1-carboxylic acid
CID 69439131
5-chloro-N-[(3R,4S)-1-methylsulfonyl-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 69216244
5-chloro-N-[4-(hydroxymethyl)-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide
CID 18453042
5-chloro-N-[(3R,4S)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-1-propan-2-ylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 69437051
5-chloro-N-[[(3S)-5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 70307360
N-(3-aminooxan-4-yl)-4-(2-oxopiperidin-1-yl)benzamide
CID 69439191
5-chloro-N-[[(5S)-2-oxo-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10202260
N-cyclopropyl-4-(2-oxopiperidin-1-yl)benzamide
CID 18105948
6-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]thieno[2,3-b]pyridine-2-carboxamide
CID 22240412
(3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 69438976
5-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-3-[2-(2-oxopiperidin-1-yl)ethoxy]propyl]thiophene-2-carboxamide
CID 69438796
N-(2-carbamoylcyclopentyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18453013

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3R,4S)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]oxolan-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3R,4S)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]oxolan-3-yl]thiophene-2-carboxamide (CID 90891307) is 5-chloro-N-[(3R,4S)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]oxolan-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3R,4S)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]oxolan-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3R,4S)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]oxolan-3-yl]thiophene-2-carboxamide is O=C(N[C@@H]1COC[C@@H]1NC(=O)c1ccc(Cl)s1)c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of 5-chloro-N-[(3R,4S)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]oxolan-3-yl]thiophene-2-carboxamide?
The InChIKey is MUBOHFQEYFYHND-CVEARBPZSA-N. The full InChI is InChI=1S/C21H22ClN3O4S/c22-18-9-8-17(30-18)21(28)24-16-12-29-11-15(16)23-20(27)13-4-6-14(7-5-13)25-10-2-1-3-19(25)26/h4-9,15-16H,1-3,10-12H2,(H,23,27)(H,24,28)/t15-,16+/m1/s1.
What are the key properties of 5-chloro-N-[(3R,4S)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]oxolan-3-yl]thiophene-2-carboxamide?
5-chloro-N-[(3R,4S)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]oxolan-3-yl]thiophene-2-carboxamide has a molecular weight of 447.94 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3R,4S)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]oxolan-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 90891307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).