(2R)-N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]oxolane-2-carboxamide

C20H20ClN3O4S — CID 25470546

IUPAC(2R)-N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(CSc1ccc(Cl)cc1)NNC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C20H20ClN3O4S/c21-14-6-8-16(9-7-14)29-12-18(25)23-24-19(26)13-3-1-4-15(11-13)22-20(27)17-5-2-10-28-17/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,22,27)(H,23,25)(H,24,26)/t17-/m1/s1
InChIKeyJMOBGXLIDNSUOV-QGZVFWFLSA-N
MW433.92 g/mol
LogP3.01
Rot. Bonds6

About (2R)-N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]oxolane-2-carboxamide

(2R)-N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 25470546) has the molecular formula C20H20ClN3O4S and a molecular weight of 433.92 g/mol. Its IUPAC name is (2R)-N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID25470546
Molecular FormulaC20H20ClN3O4S
Molecular Weight433.92 g/mol
Exact Mass433.09
IUPAC Name(2R)-N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(CSc1ccc(Cl)cc1)NNC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C20H20ClN3O4S/c21-14-6-8-16(9-7-14)29-12-18(25)23-24-19(26)13-3-1-4-15(11-13)22-20(27)17-5-2-10-28-17/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,22,27)(H,23,25)(H,24,26)/t17-/m1/s1
InChIKeyJMOBGXLIDNSUOV-QGZVFWFLSA-N
XLogP3.01
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]carbamoyl]phenyl]oxolane-2-carboxamide
CID 43070329
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-[3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]oxolane-2-carboxamide
CID 46642904
N-[3-[(2,3-dichlorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049586
N-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46635100
N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943923
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
(2S)-N-[3-[[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 25469625
N-[3-[(3-ethynylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42884379
N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]oxolane-2-carboxamide (CID 25470546) is (2R)-N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]oxolane-2-carboxamide is O=C(CSc1ccc(Cl)cc1)NNC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1.
What is the InChIKey of (2R)-N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is JMOBGXLIDNSUOV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20ClN3O4S/c21-14-6-8-16(9-7-14)29-12-18(25)23-24-19(26)13-3-1-4-15(11-13)22-20(27)17-5-2-10-28-17/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,22,27)(H,23,25)(H,24,26)/t17-/m1/s1.
What are the key properties of (2R)-N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]oxolane-2-carboxamide?
(2R)-N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 433.92 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 25470546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).