5-(cyclopropanecarbonylamino)-3-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]thiophene-2-carboxamide

C18H20N2O3S — CID 97004987

IUPAC5-(cyclopropanecarbonylamino)-3-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)N[C@@H]1CCCc2occc21
InChIInChI=1S/C18H20N2O3S/c1-10-9-15(20-17(21)11-5-6-11)24-16(10)18(22)19-13-3-2-4-14-12(13)7-8-23-14/h7-9,11,13H,2-6H2,1H3,(H,19,22)(H,20,21)/t13-/m1/s1
InChIKeyGESPYSSGKJPHGW-CYBMUJFWSA-N
MW344.44 g/mol
LogP3.81
Rot. Bonds4

About 5-(cyclopropanecarbonylamino)-3-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-3-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]thiophene-2-carboxamide (PubChem CID 97004987) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-3-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-3-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]thiophene-2-carboxamide
PubChem CID97004987
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name5-(cyclopropanecarbonylamino)-3-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)N[C@@H]1CCCc2occc21
InChIInChI=1S/C18H20N2O3S/c1-10-9-15(20-17(21)11-5-6-11)24-16(10)18(22)19-13-3-2-4-14-12(13)7-8-23-14/h7-9,11,13H,2-6H2,1H3,(H,19,22)(H,20,21)/t13-/m1/s1
InChIKeyGESPYSSGKJPHGW-CYBMUJFWSA-N
XLogP3.81
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(cyclopropanecarbonylamino)-3-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120672796
5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide
CID 41266546
2,4,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-3-carboxamide
CID 95383153
1-(4-iodo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891844
5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 41356570
5-(cyclopropanecarbonylamino)-N-(2,4-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 24605307
1-(5-bromo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78890613
1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide
CID 95274864
2,4-dichloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 3491146
5-chloro-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 60734211
3-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 86923832
2-(prop-2-ynylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 79287688

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-3-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-3-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]thiophene-2-carboxamide (CID 97004987) is 5-(cyclopropanecarbonylamino)-3-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-3-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-3-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]thiophene-2-carboxamide is Cc1cc(NC(=O)C2CC2)sc1C(=O)N[C@@H]1CCCc2occc21.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-3-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]thiophene-2-carboxamide?
The InChIKey is GESPYSSGKJPHGW-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-10-9-15(20-17(21)11-5-6-11)24-16(10)18(22)19-13-3-2-4-14-12(13)7-8-23-14/h7-9,11,13H,2-6H2,1H3,(H,19,22)(H,20,21)/t13-/m1/s1.
What are the key properties of 5-(cyclopropanecarbonylamino)-3-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-3-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]thiophene-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-3-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 97004987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).