1-(5-chlorothiophen-2-yl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-2-carboxamide

C20H23ClN2O3S2 — CID 24668788

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCC1)C1CCCN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C20H23ClN2O3S2/c21-17-9-10-18(27-17)28(25,26)23-13-4-8-16(23)19(24)22-14-20(11-5-12-20)15-6-2-1-3-7-15/h1-3,6-7,9-10,16H,4-5,8,11-14H2,(H,22,24)
InChIKeyCMEMFRCSPZBATA-UHFFFAOYSA-N
MW439.00 g/mol
LogP3.79
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-2-carboxamide

1-(5-chlorothiophen-2-yl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 24668788) has the molecular formula C20H23ClN2O3S2 and a molecular weight of 439.00 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-2-carboxamide
PubChem CID24668788
Molecular FormulaC20H23ClN2O3S2
Molecular Weight439.00 g/mol
Exact Mass438.08
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCC1)C1CCCN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C20H23ClN2O3S2/c21-17-9-10-18(27-17)28(25,26)23-13-4-8-16(23)19(24)22-14-20(11-5-12-20)15-6-2-1-3-7-15/h1-3,6-7,9-10,16H,4-5,8,11-14H2,(H,22,24)
InChIKeyCMEMFRCSPZBATA-UHFFFAOYSA-N
XLogP3.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.00
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614870
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614869
1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16830926
1-(5-chlorothiophen-2-yl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 24672059
1-(5-chlorothiophen-2-yl)sulfonyl-N-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 42937620
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 118467207
1-(5-chlorothiophen-2-yl)sulfonyl-N-(3-methoxypropyl)pyrrolidine-2-carboxamide
CID 24663293
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 31700861
(2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
CID 7063076
(2S)-N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 118413784
benzyl 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
CID 3866320
1-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 24663628

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-2-carboxamide (CID 24668788) is 1-(5-chlorothiophen-2-yl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-2-carboxamide is O=C(NCC1(c2ccccc2)CCC1)C1CCCN1S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is CMEMFRCSPZBATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S2/c21-17-9-10-18(27-17)28(25,26)23-13-4-8-16(23)19(24)22-14-20(11-5-12-20)15-6-2-1-3-7-15/h1-3,6-7,9-10,16H,4-5,8,11-14H2,(H,22,24).
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-2-carboxamide?
1-(5-chlorothiophen-2-yl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 439.00 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 24668788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).