(3S)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,1-dioxothiolane-3-carboxamide

C19H20N2O5S — CID 9083679

IUPAC(3S)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,1-dioxothiolane-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C19H20N2O5S/c1-26-17-5-3-2-4-16(17)21-18(22)13-6-8-15(9-7-13)20-19(23)14-10-11-27(24,25)12-14/h2-9,14H,10-12H2,1H3,(H,20,23)(H,21,22)/t14-/m1/s1
InChIKeyAPZAIWMXRLMKQN-CQSZACIVSA-N
MW388.45 g/mol
LogP2.32
Rot. Bonds5

About (3S)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,1-dioxothiolane-3-carboxamide

(3S)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 9083679) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is (3S)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID9083679
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name(3S)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,1-dioxothiolane-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C19H20N2O5S/c1-26-17-5-3-2-4-16(17)21-18(22)13-6-8-15(9-7-13)20-19(23)14-10-11-27(24,25)12-14/h2-9,14H,10-12H2,1H3,(H,20,23)(H,21,22)/t14-/m1/s1
InChIKeyAPZAIWMXRLMKQN-CQSZACIVSA-N
XLogP2.32
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 121063317
1-N-(1,1-dioxothiolan-3-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109149247
4-(cyclopropanecarbonylamino)-N-(2-ethoxyphenyl)benzamide
CID 2995907
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119767
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153822
(3R)-N-(5-tert-butyl-2-methoxyphenyl)-1,1-dioxothiolane-3-carboxamide
CID 41141595
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 7863287
N-[4-(2-methoxyanilino)phenyl]cyclopropanecarboxamide
CID 112987323
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109193178
4-[(2-cyclopentylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 9244990

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of (3S)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,1-dioxothiolane-3-carboxamide (CID 9083679) is (3S)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for (3S)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,1-dioxothiolane-3-carboxamide is COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1.
What is the InChIKey of (3S)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is APZAIWMXRLMKQN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-26-17-5-3-2-4-16(17)21-18(22)13-6-8-15(9-7-13)20-19(23)14-10-11-27(24,25)12-14/h2-9,14H,10-12H2,1H3,(H,20,23)(H,21,22)/t14-/m1/s1.
What are the key properties of (3S)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,1-dioxothiolane-3-carboxamide?
(3S)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 9083679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).