5-(cyclopropanecarbonylamino)-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide

C21H26N2O4S — CID 24590454

IUPAC5-(cyclopropanecarbonylamino)-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide
SMILESCCCOc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)s2)cc1OCCC
InChIInChI=1S/C21H26N2O4S/c1-3-11-26-16-8-7-15(13-17(16)27-12-4-2)22-21(25)18-9-10-19(28-18)23-20(24)14-5-6-14/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyNFFFYAAFAGUZCO-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.93
Rot. Bonds10

About 5-(cyclopropanecarbonylamino)-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide (PubChem CID 24590454) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide
PubChem CID24590454
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name5-(cyclopropanecarbonylamino)-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide
SMILESCCCOc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)s2)cc1OCCC
InChIInChI=1S/C21H26N2O4S/c1-3-11-26-16-8-7-15(13-17(16)27-12-4-2)22-21(25)18-9-10-19(28-18)23-20(24)14-5-6-14/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyNFFFYAAFAGUZCO-UHFFFAOYSA-N
XLogP4.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide
CID 9088020
N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide
CID 78779732
N-(3,4-dipropoxyphenyl)oxane-4-carboxamide
CID 78800774
N-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 16595029
N-[5-chloro-2-(2-methoxyethoxy)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 175745588
5-chloro-N-(3,4-diethoxyphenyl)thiophene-2-carboxamide
CID 26212642
5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide
CID 18135400
N-[5-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-methylphenyl]pyridine-4-carboxamide
CID 86852098
N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide
CID 7924147
N-(3,4-dipropoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 55544635
N-[3-(tert-butylsulfonylmethyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 86940766
1-(4-chlorobenzoyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
CID 26878669

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide (CID 24590454) is 5-(cyclopropanecarbonylamino)-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide is CCCOc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)s2)cc1OCCC.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide?
The InChIKey is NFFFYAAFAGUZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-3-11-26-16-8-7-15(13-17(16)27-12-4-2)22-21(25)18-9-10-19(28-18)23-20(24)14-5-6-14/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 4.93, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 24590454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).