1-(4-carbamoylthiophen-2-yl)sulfonyl-N-ethylpyrrolidine-3-carboxamide

C12H17N3O4S2 — CID 131920678

IUPAC1-(4-carbamoylthiophen-2-yl)sulfonyl-N-ethylpyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)cs2)C1
InChIInChI=1S/C12H17N3O4S2/c1-2-14-12(17)8-3-4-15(6-8)21(18,19)10-5-9(7-20-10)11(13)16/h5,7-8H,2-4,6H2,1H3,(H2,13,16)(H,14,17)
InChIKeyRHMHBPZXJJRZJQ-UHFFFAOYSA-N
MW331.42 g/mol
LogP-0.01
Rot. Bonds5

About 1-(4-carbamoylthiophen-2-yl)sulfonyl-N-ethylpyrrolidine-3-carboxamide

1-(4-carbamoylthiophen-2-yl)sulfonyl-N-ethylpyrrolidine-3-carboxamide (PubChem CID 131920678) has the molecular formula C12H17N3O4S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(4-carbamoylthiophen-2-yl)sulfonyl-N-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-carbamoylthiophen-2-yl)sulfonyl-N-ethylpyrrolidine-3-carboxamide
PubChem CID131920678
Molecular FormulaC12H17N3O4S2
Molecular Weight331.42 g/mol
Exact Mass331.07
IUPAC Name1-(4-carbamoylthiophen-2-yl)sulfonyl-N-ethylpyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)cs2)C1
InChIInChI=1S/C12H17N3O4S2/c1-2-14-12(17)8-3-4-15(6-8)21(18,19)10-5-9(7-20-10)11(13)16/h5,7-8H,2-4,6H2,1H3,(H2,13,16)(H,14,17)
InChIKeyRHMHBPZXJJRZJQ-UHFFFAOYSA-N
XLogP-0.01
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-ethyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895949
5-(2-methylpiperazin-1-yl)sulfonylthiophene-3-carboxamide
CID 122565384
5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 62943561
5-(3-ethylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 43430408
N-[(4-methylphenyl)methyl]-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53028335
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 63164467
1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 61299196
5-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 60952057
1-[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 53074839
5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 29289552
[5-(4-methylpiperidin-1-yl)sulfonylthiophen-3-yl]-piperidin-1-ylmethanone
CID 50777781
5-(2-carbamoylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 43229158

Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamoylthiophen-2-yl)sulfonyl-N-ethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-carbamoylthiophen-2-yl)sulfonyl-N-ethylpyrrolidine-3-carboxamide (CID 131920678) is 1-(4-carbamoylthiophen-2-yl)sulfonyl-N-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-carbamoylthiophen-2-yl)sulfonyl-N-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-carbamoylthiophen-2-yl)sulfonyl-N-ethylpyrrolidine-3-carboxamide is CCNC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)cs2)C1.
What is the InChIKey of 1-(4-carbamoylthiophen-2-yl)sulfonyl-N-ethylpyrrolidine-3-carboxamide?
The InChIKey is RHMHBPZXJJRZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S2/c1-2-14-12(17)8-3-4-15(6-8)21(18,19)10-5-9(7-20-10)11(13)16/h5,7-8H,2-4,6H2,1H3,(H2,13,16)(H,14,17).
What are the key properties of 1-(4-carbamoylthiophen-2-yl)sulfonyl-N-ethylpyrrolidine-3-carboxamide?
1-(4-carbamoylthiophen-2-yl)sulfonyl-N-ethylpyrrolidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamoylthiophen-2-yl)sulfonyl-N-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 131920678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).