(2R)-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide

C19H19N3O3S — CID 30748018

IUPAC(2R)-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCc1sc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c(C#N)c1C
InChIInChI=1S/C19H19N3O3S/c1-11-12(2)26-19(15(11)10-20)22-17(23)13-5-3-6-14(9-13)21-18(24)16-7-4-8-25-16/h3,5-6,9,16H,4,7-8H2,1-2H3,(H,21,24)(H,22,23)/t16-/m1/s1
InChIKeyKSFSPSKEPPYWIK-MRXNPFEDSA-N
MW369.45 g/mol
LogP3.61
Rot. Bonds4

About (2R)-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide

(2R)-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 30748018) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is (2R)-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID30748018
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name(2R)-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCc1sc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c(C#N)c1C
InChIInChI=1S/C19H19N3O3S/c1-11-12(2)26-19(15(11)10-20)22-17(23)13-5-3-6-14(9-13)21-18(24)16-7-4-8-25-16/h3,5-6,9,16H,4,7-8H2,1-2H3,(H,21,24)(H,22,23)/t16-/m1/s1
InChIKeyKSFSPSKEPPYWIK-MRXNPFEDSA-N
XLogP3.61
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]benzamide
CID 34589296
2,4-dichloro-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]benzamide
CID 34589319
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943923
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-[(3-ethynylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42884379
ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 2169884
(2S)-N-[3-[(4-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 32800947
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 134035566
3-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]carbamoyl]benzoic acid
CID 2231825
N-[3-[(2-ethyl-6-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634844

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide (CID 30748018) is (2R)-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide is Cc1sc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c(C#N)c1C.
What is the InChIKey of (2R)-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is KSFSPSKEPPYWIK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-11-12(2)26-19(15(11)10-20)22-17(23)13-5-3-6-14(9-13)21-18(24)16-7-4-8-25-16/h3,5-6,9,16H,4,7-8H2,1-2H3,(H,21,24)(H,22,23)/t16-/m1/s1.
What are the key properties of (2R)-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide?
(2R)-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 30748018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).