(8S)-N-cyclopropyl-2,3-dimethyl-8-thiophen-3-yl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide

C20H21N3O2S — CID 15603536

IUPAC(8S)-N-cyclopropyl-2,3-dimethyl-8-thiophen-3-yl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
SMILESCc1nc2c3c(c(C(=O)NC4CC4)cc2n1C)CC[C@@H](c1ccsc1)O3
InChIInChI=1S/C20H21N3O2S/c1-11-21-18-16(23(11)2)9-15(20(24)22-13-3-4-13)14-5-6-17(25-19(14)18)12-7-8-26-10-12/h7-10,13,17H,3-6H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyIJLQOXQVEKHIGZ-KRWDZBQOSA-N
MW367.47 g/mol
LogP3.90
Rot. Bonds3

About (8S)-N-cyclopropyl-2,3-dimethyl-8-thiophen-3-yl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide

(8S)-N-cyclopropyl-2,3-dimethyl-8-thiophen-3-yl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide (PubChem CID 15603536) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is (8S)-N-cyclopropyl-2,3-dimethyl-8-thiophen-3-yl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name(8S)-N-cyclopropyl-2,3-dimethyl-8-thiophen-3-yl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
PubChem CID15603536
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name(8S)-N-cyclopropyl-2,3-dimethyl-8-thiophen-3-yl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
SMILESCc1nc2c3c(c(C(=O)NC4CC4)cc2n1C)CC[C@@H](c1ccsc1)O3
InChIInChI=1S/C20H21N3O2S/c1-11-21-18-16(23(11)2)9-15(20(24)22-13-3-4-13)14-5-6-17(25-19(14)18)12-7-8-26-10-12/h7-10,13,17H,3-6H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyIJLQOXQVEKHIGZ-KRWDZBQOSA-N
XLogP3.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (8S)-N-cyclopropyl-2,3-dimethyl-8-thiophen-3-yl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(8S)-8-(4-chlorophenyl)-N,2,3-trimethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
CID 46220721
2,3-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carbothioic S-acid
CID 87846358
(8S)-N,N,2,3-tetramethyl-8-(4-methylthiophen-3-yl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
CID 15603110
ethyl 2,3-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxylate
CID 69135072
(8S)-N,2,3-trimethyl-8-(2-propan-2-ylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
CID 15603116
(8S)-N,2,3-trimethyl-8-naphthalen-1-yl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
CID 15603322
5-(methoxymethyl)-2,3-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole
CID 69135066
3-methyl-8-phenyl-2-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxylic acid
CID 91324906
[(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]-(3-methoxyazetidin-1-yl)methanone
CID 24996827
azetidin-1-yl-[(8S)-2,3-dimethyl-8-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]methanone
CID 15603980
N-[3-(cyclopropylcarbamoyl)phenyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 71881118
N-cyclopropyl-5-thiophen-3-yl-1,2-oxazole-3-carboxamide
CID 24859444

Frequently Asked Questions

What is the IUPAC name of (8S)-N-cyclopropyl-2,3-dimethyl-8-thiophen-3-yl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The IUPAC name of (8S)-N-cyclopropyl-2,3-dimethyl-8-thiophen-3-yl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide (CID 15603536) is (8S)-N-cyclopropyl-2,3-dimethyl-8-thiophen-3-yl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide.
What is the SMILES notation for (8S)-N-cyclopropyl-2,3-dimethyl-8-thiophen-3-yl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The canonical SMILES for (8S)-N-cyclopropyl-2,3-dimethyl-8-thiophen-3-yl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide is Cc1nc2c3c(c(C(=O)NC4CC4)cc2n1C)CC[C@@H](c1ccsc1)O3.
What is the InChIKey of (8S)-N-cyclopropyl-2,3-dimethyl-8-thiophen-3-yl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The InChIKey is IJLQOXQVEKHIGZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-11-21-18-16(23(11)2)9-15(20(24)22-13-3-4-13)14-5-6-17(25-19(14)18)12-7-8-26-10-12/h7-10,13,17H,3-6H2,1-2H3,(H,22,24)/t17-/m0/s1.
What are the key properties of (8S)-N-cyclopropyl-2,3-dimethyl-8-thiophen-3-yl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
(8S)-N-cyclopropyl-2,3-dimethyl-8-thiophen-3-yl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-cyclopropyl-2,3-dimethyl-8-thiophen-3-yl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 15603536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).