N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

C18H22N4O4S2 — CID 55452760

IUPACN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccccc1SCC(N)=O
InChIInChI=1S/C18H22N4O4S2/c1-21-11-13(28(25,26)22-8-4-5-9-22)10-15(21)18(24)20-14-6-2-3-7-16(14)27-12-17(19)23/h2-3,6-7,10-11H,4-5,8-9,12H2,1H3,(H2,19,23)(H,20,24)
InChIKeyJPZCBJBPWMLRDH-UHFFFAOYSA-N
MW422.53 g/mol
LogP1.64
Rot. Bonds7

About N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 55452760) has the molecular formula C18H22N4O4S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID55452760
Molecular FormulaC18H22N4O4S2
Molecular Weight422.53 g/mol
Exact Mass422.11
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccccc1SCC(N)=O
InChIInChI=1S/C18H22N4O4S2/c1-21-11-13(28(25,26)22-8-4-5-9-22)10-15(21)18(24)20-14-6-2-3-7-16(14)27-12-17(19)23/h2-3,6-7,10-11H,4-5,8-9,12H2,1H3,(H2,19,23)(H,20,24)
InChIKeyJPZCBJBPWMLRDH-UHFFFAOYSA-N
XLogP1.64
TPSA114.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-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

1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919434
1-methyl-N-(1-methyl-2-oxo-3-pyridinyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 75421055
N-[2-(ethoxymethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 86821808
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55633494
1-methyl-N-[2-(N-methylanilino)phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55778849
N-(2-chlorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17425555
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 24675949
1-methyl-N-(2-phenylbutyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 51266579
N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46422728
N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46409717
N-(4-chloro-2-fluorophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53087240
1-methyl-N-[3-(propanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55573958

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (CID 55452760) is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccccc1SCC(N)=O.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is JPZCBJBPWMLRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S2/c1-21-11-13(28(25,26)22-8-4-5-9-22)10-15(21)18(24)20-14-6-2-3-7-16(14)27-12-17(19)23/h2-3,6-7,10-11H,4-5,8-9,12H2,1H3,(H2,19,23)(H,20,24).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 55452760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).