N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide

C19H20ClN3O3S — CID 87026910

IUPACN-[5-chloro-2-(propylcarbamoyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C19H20ClN3O3S/c1-2-9-21-18(25)13-6-5-12(20)10-14(13)22-19(26)15-7-8-16(27-15)23-17(24)11-3-4-11/h5-8,10-11H,2-4,9H2,1H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyBQOXSGWWQQESOR-UHFFFAOYSA-N
MW405.91 g/mol
LogP4.14
Rot. Bonds7

About N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide

N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide (PubChem CID 87026910) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(propylcarbamoyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
PubChem CID87026910
Molecular FormulaC19H20ClN3O3S
Molecular Weight405.91 g/mol
Exact Mass405.09
IUPAC NameN-[5-chloro-2-(propylcarbamoyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C19H20ClN3O3S/c1-2-9-21-18(25)13-6-5-12(20)10-14(13)22-19(26)15-7-8-16(27-15)23-17(24)11-3-4-11/h5-8,10-11H,2-4,9H2,1H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyBQOXSGWWQQESOR-UHFFFAOYSA-N
XLogP4.14
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(cyclopentanecarbonylamino)-N-propylbenzamide
CID 87026899
5-(cyclopropanecarbonylamino)-N-(2,5-dichlorophenyl)thiophene-2-carboxamide
CID 17420515
N-[5-chloro-2-(2-methoxyethoxy)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 175745588
5-(cyclopropanecarbonylamino)-N-[2-(3,5-dichlorophenyl)ethyl]thiophene-2-carboxamide
CID 86848335
4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide
CID 119712108
4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144433
4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid
CID 107832422
5-acetamido-N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 24606547
5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 115612892
4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144375
N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 86881839
4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144380

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
The IUPAC name of N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide (CID 87026910) is N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide is CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
The InChIKey is BQOXSGWWQQESOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/c1-2-9-21-18(25)13-6-5-12(20)10-14(13)22-19(26)15-7-8-16(27-15)23-17(24)11-3-4-11/h5-8,10-11H,2-4,9H2,1H3,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide has a molecular weight of 405.91 g/mol, XLogP of 4.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide is sourced from PubChem (CID 87026910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).