5-(cyclopropanecarbonylamino)-N-[2-(3,5-dichlorophenyl)ethyl]thiophene-2-carboxamide

C17H16Cl2N2O2S — CID 86848335

IUPAC5-(cyclopropanecarbonylamino)-N-[2-(3,5-dichlorophenyl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1cc(Cl)cc(Cl)c1)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C17H16Cl2N2O2S/c18-12-7-10(8-13(19)9-12)5-6-20-17(23)14-3-4-15(24-14)21-16(22)11-1-2-11/h3-4,7-9,11H,1-2,5-6H2,(H,20,23)(H,21,22)
InChIKeyMTIMBKLBQPQHTA-UHFFFAOYSA-N
MW383.30 g/mol
LogP4.38
Rot. Bonds6

About 5-(cyclopropanecarbonylamino)-N-[2-(3,5-dichlorophenyl)ethyl]thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-[2-(3,5-dichlorophenyl)ethyl]thiophene-2-carboxamide (PubChem CID 86848335) has the molecular formula C17H16Cl2N2O2S and a molecular weight of 383.30 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-[2-(3,5-dichlorophenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-[2-(3,5-dichlorophenyl)ethyl]thiophene-2-carboxamide
PubChem CID86848335
Molecular FormulaC17H16Cl2N2O2S
Molecular Weight383.30 g/mol
Exact Mass382.03
IUPAC Name5-(cyclopropanecarbonylamino)-N-[2-(3,5-dichlorophenyl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1cc(Cl)cc(Cl)c1)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C17H16Cl2N2O2S/c18-12-7-10(8-13(19)9-12)5-6-20-17(23)14-3-4-15(24-14)21-16(22)11-1-2-11/h3-4,7-9,11H,1-2,5-6H2,(H,20,23)(H,21,22)
InChIKeyMTIMBKLBQPQHTA-UHFFFAOYSA-N
XLogP4.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid
CID 107832422
N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 87026910
5-(cyclopropanecarbonylamino)-N-(2,5-dichlorophenyl)thiophene-2-carboxamide
CID 17420515
5-(cyclopropanecarbonylamino)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]thiophene-2-carboxamide
CID 17492769
5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 115612892
5-(cyclopropanecarbonylamino)-N-[(1-hydroxycyclobutyl)methyl]thiophene-2-carboxamide
CID 115668905
N-[(4-bromo-3-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 86868025
N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 86881839
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66173156
5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide
CID 18135400
2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]acetic acid
CID 43356222
N-[5-chloro-2-(2-methoxyethoxy)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 175745588

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-[2-(3,5-dichlorophenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-[2-(3,5-dichlorophenyl)ethyl]thiophene-2-carboxamide (CID 86848335) is 5-(cyclopropanecarbonylamino)-N-[2-(3,5-dichlorophenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-[2-(3,5-dichlorophenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-[2-(3,5-dichlorophenyl)ethyl]thiophene-2-carboxamide is O=C(NCCc1cc(Cl)cc(Cl)c1)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-[2-(3,5-dichlorophenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is MTIMBKLBQPQHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2S/c18-12-7-10(8-13(19)9-12)5-6-20-17(23)14-3-4-15(24-14)21-16(22)11-1-2-11/h3-4,7-9,11H,1-2,5-6H2,(H,20,23)(H,21,22).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-[2-(3,5-dichlorophenyl)ethyl]thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-[2-(3,5-dichlorophenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 383.30 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-[2-(3,5-dichlorophenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 86848335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).