5-(cyclopropanecarbonylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide

C22H27N3O5S2 — CID 24610289

IUPAC5-(cyclopropanecarbonylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2sc(NC(=O)C3CC3)cc2C)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C22H27N3O5S2/c1-3-30-17-9-8-16(13-18(17)32(28,29)25-10-4-5-11-25)23-22(27)20-14(2)12-19(31-20)24-21(26)15-6-7-15/h8-9,12-13,15H,3-7,10-11H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyCNAFRDBOZYYZEN-UHFFFAOYSA-N
MW477.61 g/mol
LogP3.84
Rot. Bonds8

About 5-(cyclopropanecarbonylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide (PubChem CID 24610289) has the molecular formula C22H27N3O5S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide
PubChem CID24610289
Molecular FormulaC22H27N3O5S2
Molecular Weight477.61 g/mol
Exact Mass477.14
IUPAC Name5-(cyclopropanecarbonylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2sc(NC(=O)C3CC3)cc2C)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C22H27N3O5S2/c1-3-30-17-9-8-16(13-18(17)32(28,29)25-10-4-5-11-25)23-22(27)20-14(2)12-19(31-20)24-21(26)15-6-7-15/h8-9,12-13,15H,3-7,10-11H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyCNAFRDBOZYYZEN-UHFFFAOYSA-N
XLogP3.84
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270305
1-(cyclopropanecarbonyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 55683607
(2S,4S)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpiperidine-4-carboxamide
CID 120618053
4-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 46446491
5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide
CID 41266546
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119270317
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-fluoro-2-methylbenzamide
CID 33078976
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide
CID 26795599
(2S,5R)-5-(aminomethyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)oxolane-2-carboxamide
CID 120784202
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 26189255
2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26795556
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 55445819

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide (CID 24610289) is 5-(cyclopropanecarbonylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide is CCOc1ccc(NC(=O)c2sc(NC(=O)C3CC3)cc2C)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide?
The InChIKey is CNAFRDBOZYYZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S2/c1-3-30-17-9-8-16(13-18(17)32(28,29)25-10-4-5-11-25)23-22(27)20-14(2)12-19(31-20)24-21(26)15-6-7-15/h8-9,12-13,15H,3-7,10-11H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 24610289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).