5-ethyl-4-methyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]thiophene-2-carboxamide

C17H22N2O3S3 — CID 46593431

IUPAC5-ethyl-4-methyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]thiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)s2)cc1C
InChIInChI=1S/C17H22N2O3S3/c1-3-14-12(2)10-15(24-14)17(20)18-11-13-6-7-16(23-13)25(21,22)19-8-4-5-9-19/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,18,20)
InChIKeyBFKXIYKGRAQOMQ-UHFFFAOYSA-N
MW398.58 g/mol
LogP3.39
Rot. Bonds6

About 5-ethyl-4-methyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]thiophene-2-carboxamide

5-ethyl-4-methyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 46593431) has the molecular formula C17H22N2O3S3 and a molecular weight of 398.58 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]thiophene-2-carboxamide
PubChem CID46593431
Molecular FormulaC17H22N2O3S3
Molecular Weight398.58 g/mol
Exact Mass398.08
IUPAC Name5-ethyl-4-methyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]thiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)s2)cc1C
InChIInChI=1S/C17H22N2O3S3/c1-3-14-12(2)10-15(24-14)17(20)18-11-13-6-7-16(23-13)25(21,22)19-8-4-5-9-19/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,18,20)
InChIKeyBFKXIYKGRAQOMQ-UHFFFAOYSA-N
XLogP3.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17440789
N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]furan-3-carboxamide
CID 17424428
3-methyl-4-nitro-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 41297055
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-(4-methylphenyl)acetamide
CID 53112471
4-fluoro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17436138
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-4-fluorobenzamide
CID 53112444
3-(4-ethylphenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]propanamide
CID 32752038
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-4-cyanobenzamide
CID 53112426
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 26061202
3-chloro-4-fluoro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 53112330
3-acetamido-2-methyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 53112317
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-bromobenzamide
CID 53112446

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-ethyl-4-methyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]thiophene-2-carboxamide (CID 46593431) is 5-ethyl-4-methyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-4-methyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-4-methyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]thiophene-2-carboxamide is CCc1sc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)s2)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is BFKXIYKGRAQOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S3/c1-3-14-12(2)10-15(24-14)17(20)18-11-13-6-7-16(23-13)25(21,22)19-8-4-5-9-19/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,18,20).
What are the key properties of 5-ethyl-4-methyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]thiophene-2-carboxamide?
5-ethyl-4-methyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 398.58 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 46593431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).