N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C19H25N3O6S3 — CID 55956907

IUPACN-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc1OC
InChIInChI=1S/C19H25N3O6S3/c1-3-30(24,25)21-16-9-8-15(12-17(16)28-2)20-19(23)14-6-4-10-22(13-14)31(26,27)18-7-5-11-29-18/h5,7-9,11-12,14,21H,3-4,6,10,13H2,1-2H3,(H,20,23)
InChIKeyOASDJPOZZSORBR-UHFFFAOYSA-N
MW487.63 g/mol
LogP2.56
Rot. Bonds8

About N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 55956907) has the molecular formula C19H25N3O6S3 and a molecular weight of 487.63 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID55956907
Molecular FormulaC19H25N3O6S3
Molecular Weight487.63 g/mol
Exact Mass487.09
IUPAC NameN-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc1OC
InChIInChI=1S/C19H25N3O6S3/c1-3-30(24,25)21-16-9-8-15(12-17(16)28-2)20-19(23)14-6-4-10-22(13-14)31(26,27)18-7-5-11-29-18/h5,7-9,11-12,14,21H,3-4,6,10,13H2,1-2H3,(H,20,23)
InChIKeyOASDJPOZZSORBR-UHFFFAOYSA-N
XLogP2.56
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-thiophen-2-ylsulfonylpiperidine-3-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-thiophen-2-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 55412270
(3S)-N-(4-methoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51427170
(3R)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 99644769
(3S)-N-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012522
methyl 3-[(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)amino]benzoate
CID 46764341
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 42923024
(3R)-N-[3-(hydroxymethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9092353
3-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55982410
(3S)-N-(4-bromo-3-chlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92642718
(3S)-N-(3,4-dimethoxyphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447145
(3S)-N-(4-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9076312
(3S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9397559

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 55956907) is N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is CCS(=O)(=O)Nc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc1OC.
What is the InChIKey of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is OASDJPOZZSORBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6S3/c1-3-30(24,25)21-16-9-8-15(12-17(16)28-2)20-19(23)14-6-4-10-22(13-14)31(26,27)18-7-5-11-29-18/h5,7-9,11-12,14,21H,3-4,6,10,13H2,1-2H3,(H,20,23).
What are the key properties of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 487.63 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55956907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).