5-(cyclopropanecarbonylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide

C22H28N2O4S — CID 24607728

IUPAC5-(cyclopropanecarbonylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2sc(NC(=O)C3CC3)cc2C)cc1OCC
InChIInChI=1S/C22H28N2O4S/c1-4-27-17-9-6-15(13-18(17)28-5-2)10-11-23-22(26)20-14(3)12-19(29-20)24-21(25)16-7-8-16/h6,9,12-13,16H,4-5,7-8,10-11H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyHKURXSHHRKQZRY-UHFFFAOYSA-N
MW416.54 g/mol
LogP4.17
Rot. Bonds10

About 5-(cyclopropanecarbonylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide (PubChem CID 24607728) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
PubChem CID24607728
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name5-(cyclopropanecarbonylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2sc(NC(=O)C3CC3)cc2C)cc1OCC
InChIInChI=1S/C22H28N2O4S/c1-4-27-17-9-6-15(13-18(17)28-5-2)10-11-23-22(26)20-14(3)12-19(29-20)24-21(25)16-7-8-16/h6,9,12-13,16H,4-5,7-8,10-11H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyHKURXSHHRKQZRY-UHFFFAOYSA-N
XLogP4.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropanecarbonylamino)-N-[3-(4-methoxyphenoxy)propyl]-3-methylthiophene-2-carboxamide
CID 86836586
5-(cyclopropanecarbonylamino)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]thiophene-2-carboxamide
CID 24666464
5-(cyclopropanecarbonylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiophene-2-carboxamide
CID 86989867
5-(cyclopropanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-3-methylthiophene-2-carboxamide
CID 86866426
5-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 24637076
5-(cyclopropanecarbonylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide
CID 24610289
1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108887610
5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide
CID 41266546
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
(2S,4S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616882
N-[2-(3,4-diethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
CID 33239228
5-bromo-N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 26851346

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide (CID 24607728) is 5-(cyclopropanecarbonylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide is CCOc1ccc(CCNC(=O)c2sc(NC(=O)C3CC3)cc2C)cc1OCC.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide?
The InChIKey is HKURXSHHRKQZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-4-27-17-9-6-15(13-18(17)28-5-2)10-11-23-22(26)20-14(3)12-19(29-20)24-21(25)16-7-8-16/h6,9,12-13,16H,4-5,7-8,10-11H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide has a molecular weight of 416.54 g/mol, XLogP of 4.17, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 24607728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).