N-[[4-(2-methylpropoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

C20H26N2O4S2 — CID 55897304

IUPACN-[[4-(2-methylpropoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCC(C)COc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H26N2O4S2/c1-15(2)14-26-17-7-5-16(6-8-17)13-21-20(23)19-18(9-12-27-19)28(24,25)22-10-3-4-11-22/h5-9,12,15H,3-4,10-11,13-14H2,1-2H3,(H,21,23)
InChIKeyOPRGZTPCVJANJQ-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.50
Rot. Bonds8

About N-[[4-(2-methylpropoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

N-[[4-(2-methylpropoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 55897304) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[[4-(2-methylpropoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methylpropoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID55897304
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC NameN-[[4-(2-methylpropoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCC(C)COc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H26N2O4S2/c1-15(2)14-26-17-7-5-16(6-8-17)13-21-20(23)19-18(9-12-27-19)28(24,25)22-10-3-4-11-22/h5-9,12,15H,3-4,10-11,13-14H2,1-2H3,(H,21,23)
InChIKeyOPRGZTPCVJANJQ-UHFFFAOYSA-N
XLogP3.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 60621527
N-[2-(2-methylpropanoylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32626260
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 46486195
N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 120829612
5-[[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119246200
3-morpholin-4-ylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 22108462
N-(3-butoxypropyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 51338664
4-chloro-N-[(4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7959660
N-[3-(dimethylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 134037246
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 55749896
N-[(2S)-2-(N-methylanilino)propyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 51948333
N-[(4-methylsulfanylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 27374929

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-[[4-(2-methylpropoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (CID 55897304) is N-[[4-(2-methylpropoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(2-methylpropoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[[4-(2-methylpropoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is CC(C)COc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[[4-(2-methylpropoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is OPRGZTPCVJANJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-15(2)14-26-17-7-5-16(6-8-17)13-21-20(23)19-18(9-12-27-19)28(24,25)22-10-3-4-11-22/h5-9,12,15H,3-4,10-11,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-[[4-(2-methylpropoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 55897304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).