5-chloro-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide

C13H17ClN2OS — CID 104974058

IUPAC5-chloro-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1ccc(Cl)s1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C13H17ClN2OS/c14-12-6-5-11(18-12)13(17)16(10-3-4-10)8-9-2-1-7-15-9/h5-6,9-10,15H,1-4,7-8H2
InChIKeyTVDNFWWMUKMBMX-UHFFFAOYSA-N
MW284.81 g/mol
LogP2.76
Rot. Bonds4

About 5-chloro-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide

5-chloro-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 104974058) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
PubChem CID104974058
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC Name5-chloro-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1ccc(Cl)s1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C13H17ClN2OS/c14-12-6-5-11(18-12)13(17)16(10-3-4-10)8-9-2-1-7-15-9/h5-6,9-10,15H,1-4,7-8H2
InChIKeyTVDNFWWMUKMBMX-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide
CID 106626893
5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106625640
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 104974015
2-chloro-N-cyclopropyl-5-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106599315
3-[(5-chlorothiophene-2-carbonyl)-cyclopropylamino]propanoic acid
CID 60845442
5-chloro-N-(2-chloroethyl)-N-cyclohexylthiophene-2-carboxamide
CID 55185888
2-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide
CID 106855243
N-cyclopropyl-N-(piperidin-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 106627038
N-(4-aminocyclohexyl)-5-chloro-N-ethylthiophene-2-carboxamide
CID 79116342
5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 63299732
N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 104974197
4-chloro-N-cyclopropyl-2-fluoro-N-(piperidin-2-ylmethyl)benzamide
CID 106626825

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide (CID 104974058) is 5-chloro-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide is O=C(c1ccc(Cl)s1)N(CC1CCCN1)C1CC1.
What is the InChIKey of 5-chloro-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is TVDNFWWMUKMBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c14-12-6-5-11(18-12)13(17)16(10-3-4-10)8-9-2-1-7-15-9/h5-6,9-10,15H,1-4,7-8H2.
What are the key properties of 5-chloro-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide?
5-chloro-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 284.81 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 104974058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).