N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C21H25N3O6S2 — CID 4020149

IUPACN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCCN1C(=O)c1cccs1
InChIInChI=1S/C21H25N3O6S2/c1-29-18-7-6-15(32(27,28)23-9-11-30-12-10-23)14-16(18)22-20(25)17-4-2-8-24(17)21(26)19-5-3-13-31-19/h3,5-7,13-14,17H,2,4,8-12H2,1H3,(H,22,25)
InChIKeyOEKCNFYMFVMSMB-UHFFFAOYSA-N
MW479.58 g/mol
LogP2.02
Rot. Bonds6

About N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 4020149) has the molecular formula C21H25N3O6S2 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID4020149
Molecular FormulaC21H25N3O6S2
Molecular Weight479.58 g/mol
Exact Mass479.12
IUPAC NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCCN1C(=O)c1cccs1
InChIInChI=1S/C21H25N3O6S2/c1-29-18-7-6-15(32(27,28)23-9-11-30-12-10-23)14-16(18)22-20(25)17-4-2-8-24(17)21(26)19-5-3-13-31-19/h3,5-7,13-14,17H,2,4,8-12H2,1H3,(H,22,25)
InChIKeyOEKCNFYMFVMSMB-UHFFFAOYSA-N
XLogP2.02
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)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

5-Chloro-Thiophene-2-Carboxylic Acid [(S)-2-[2-Difluoromethoxy-3-(2-Oxo-Piperidin-1-Yl)-Benzenesulfonylamino]-3-((S)-3-Dimethylamino-Pyrrolidin-1-Yl)-3-Oxo-Propyl]-Amide
CID 72206621
Thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10248783
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 15945391
[(3S)-1-[(2S)-3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[2-(difluoromethoxy)-3-(2-oxopiperidin-1-yl)phenyl]sulfonylamino]propanoyl]pyrrolidin-3-yl]-dimethylazanium
CID 78225348
[4-(2-Ethoxy-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 896558
[2-(2-Methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-nitrothiophene-2-carboxylate
CID 4843731
5-Methyl-thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10091635
5-Methyl-thiophene-2-carboxylic acid {2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-amide
CID 10473644
1-(2-Methoxyphenyl)-4-(thiophene-2-carbonyl)piperazine
CID 694533
N-cyclohexyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 2089888
(2S)-N-(2,5-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2541970
2-[Benzenesulfonyl-(2-methoxy-phenyl)-amino]-N-[2-(furan-2-ylmethylsulfanyl)-ethyl]-acetamide
CID 3147872

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 4020149) is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCCN1C(=O)c1cccs1.
What is the InChIKey of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is OEKCNFYMFVMSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6S2/c1-29-18-7-6-15(32(27,28)23-9-11-30-12-10-23)14-16(18)22-20(25)17-4-2-8-24(17)21(26)19-5-3-13-31-19/h3,5-7,13-14,17H,2,4,8-12H2,1H3,(H,22,25).
What are the key properties of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 4020149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).