N-(4-methoxyphenyl)-1-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]pyrrolidine-2-carboxamide

C22H27N3O5S2 — CID 55966735

IUPACN-(4-methoxyphenyl)-1-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)cc1
InChIInChI=1S/C22H27N3O5S2/c1-30-17-8-6-16(7-9-17)23-22(27)19-5-4-14-25(19)20(26)15-18-10-11-21(31-18)32(28,29)24-12-2-3-13-24/h6-11,19H,2-5,12-15H2,1H3,(H,23,27)
InChIKeyODFFGFMRKRYHDN-UHFFFAOYSA-N
MW477.61 g/mol
LogP2.71
Rot. Bonds7

About N-(4-methoxyphenyl)-1-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]pyrrolidine-2-carboxamide

N-(4-methoxyphenyl)-1-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 55966735) has the molecular formula C22H27N3O5S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID55966735
Molecular FormulaC22H27N3O5S2
Molecular Weight477.61 g/mol
Exact Mass477.14
IUPAC NameN-(4-methoxyphenyl)-1-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)cc1
InChIInChI=1S/C22H27N3O5S2/c1-30-17-8-6-16(7-9-17)23-22(27)19-5-4-14-25(19)20(26)15-18-10-11-21(31-18)32(28,29)24-12-2-3-13-24/h6-11,19H,2-5,12-15H2,1H3,(H,23,27)
InChIKeyODFFGFMRKRYHDN-UHFFFAOYSA-N
XLogP2.71
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methoxyphenyl)-1-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide
CID 55965959
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119650907
1-(2-ethylpiperidin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 112760227
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone;hydrochloride
CID 119633329
(2S)-N-(4-methoxyphenyl)-1-(3-propan-2-yloxypropanoyl)pyrrolidine-2-carboxamide
CID 94820189
N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 2449300
1-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 60604851
(2R)-2-N-(4-acetamidophenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468944
N-[4-(difluoromethoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 7941191
(2R)-N-(4-methoxyphenyl)-1-[3-(2-methylpropoxy)propanoyl]pyrrolidine-2-carboxamide
CID 39475072
(3S)-N-(4-methoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51427170
methyl 1-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 55512852

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]pyrrolidine-2-carboxamide (CID 55966735) is N-(4-methoxyphenyl)-1-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]pyrrolidine-2-carboxamide is COc1ccc(NC(=O)C2CCCN2C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is ODFFGFMRKRYHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S2/c1-30-17-8-6-16(7-9-17)23-22(27)19-5-4-14-25(19)20(26)15-18-10-11-21(31-18)32(28,29)24-12-2-3-13-24/h6-11,19H,2-5,12-15H2,1H3,(H,23,27).
What are the key properties of N-(4-methoxyphenyl)-1-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]pyrrolidine-2-carboxamide?
N-(4-methoxyphenyl)-1-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55966735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).