N-[[1-(4-chlorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide

C15H14ClNOS — CID 42265711

IUPACN-[[1-(4-chlorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CC1)c1cccs1
InChIInChI=1S/C15H14ClNOS/c16-12-5-3-11(4-6-12)15(7-8-15)10-17-14(18)13-2-1-9-19-13/h1-6,9H,7-8,10H2,(H,17,18)
InChIKeyAJBOXFVWXDHPSN-UHFFFAOYSA-N
MW291.80 g/mol
LogP3.86
Rot. Bonds4

About N-[[1-(4-chlorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide

N-[[1-(4-chlorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide (PubChem CID 42265711) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide
PubChem CID42265711
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CC1)c1cccs1
InChIInChI=1S/C15H14ClNOS/c16-12-5-3-11(4-6-12)15(7-8-15)10-17-14(18)13-2-1-9-19-13/h1-6,9H,7-8,10H2,(H,17,18)
InChIKeyAJBOXFVWXDHPSN-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 42266039
N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide
CID 30943585
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide
CID 42265696
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 110416723
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 113090713
N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 115364345
N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide
CID 103742453
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide
CID 119317231
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-2-carboxamide
CID 71782124
N-[(1-ethylcyclobutyl)methyl]thiophene-2-carboxamide
CID 103741423
N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 94290696
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea
CID 113090728

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide (CID 42265711) is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide is O=C(NCC1(c2ccc(Cl)cc2)CC1)c1cccs1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide?
The InChIKey is AJBOXFVWXDHPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c16-12-5-3-11(4-6-12)15(7-8-15)10-17-14(18)13-2-1-9-19-13/h1-6,9H,7-8,10H2,(H,17,18).
What are the key properties of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide?
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide has a molecular weight of 291.80 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 42265711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).