N-[3-(cyclopropylmethoxymethyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide

C21H26N2O4S2 — CID 60590497

IUPACN-[3-(cyclopropylmethoxymethyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(COCC3CC3)c2)s1
InChIInChI=1S/C21H26N2O4S2/c1-15-7-10-20(28-15)29(25,26)23-11-3-6-19(23)21(24)22-18-5-2-4-17(12-18)14-27-13-16-8-9-16/h2,4-5,7,10,12,16,19H,3,6,8-9,11,13-14H2,1H3,(H,22,24)
InChIKeyLXUATGZEXPDPFD-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.77
Rot. Bonds8

About N-[3-(cyclopropylmethoxymethyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide

N-[3-(cyclopropylmethoxymethyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 60590497) has the molecular formula C21H26N2O4S2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxymethyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxymethyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
PubChem CID60590497
Molecular FormulaC21H26N2O4S2
Molecular Weight434.58 g/mol
Exact Mass434.13
IUPAC NameN-[3-(cyclopropylmethoxymethyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(COCC3CC3)c2)s1
InChIInChI=1S/C21H26N2O4S2/c1-15-7-10-20(28-15)29(25,26)23-11-3-6-19(23)21(24)22-18-5-2-4-17(12-18)14-27-13-16-8-9-16/h2,4-5,7,10,12,16,19H,3,6,8-9,11,13-14H2,1H3,(H,22,24)
InChIKeyLXUATGZEXPDPFD-UHFFFAOYSA-N
XLogP3.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(3-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 33283433
methyl 4-methyl-3-[[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 43049681
N-[5-(dimethylamino)-2-pyridinyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 60600192
N-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 42943806
N-[3-(2-amino-2-oxoethoxy)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 24669179
1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16830926
(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
(2R)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 33039226
[4-(ethylaminomethyl)piperidin-1-yl]-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone
CID 119647161
2-[3-[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 119351880
1-methylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 47086715

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxymethyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(cyclopropylmethoxymethyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide (CID 60590497) is N-[3-(cyclopropylmethoxymethyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxymethyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(cyclopropylmethoxymethyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2cccc(COCC3CC3)c2)s1.
What is the InChIKey of N-[3-(cyclopropylmethoxymethyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is LXUATGZEXPDPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S2/c1-15-7-10-20(28-15)29(25,26)23-11-3-6-19(23)21(24)22-18-5-2-4-17(12-18)14-27-13-16-8-9-16/h2,4-5,7,10,12,16,19H,3,6,8-9,11,13-14H2,1H3,(H,22,24).
What are the key properties of N-[3-(cyclopropylmethoxymethyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
N-[3-(cyclopropylmethoxymethyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxymethyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 60590497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).