N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]-2-methylpropanamide

C22H31N3O3S2 — CID 16933276

IUPACN-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCCCCC2)cc1
InChIInChI=1S/C22H31N3O3S2/c1-17(2)22(26)24-19-7-9-20(10-8-19)30(27,28)23-15-21(18-11-14-29-16-18)25-12-5-3-4-6-13-25/h7-11,14,16-17,21,23H,3-6,12-13,15H2,1-2H3,(H,24,26)
InChIKeyCGHLOCSNFBPECM-UHFFFAOYSA-N
MW449.64 g/mol
LogP4.24
Rot. Bonds8

About N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]-2-methylpropanamide

N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]-2-methylpropanamide (PubChem CID 16933276) has the molecular formula C22H31N3O3S2 and a molecular weight of 449.64 g/mol. Its IUPAC name is N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]-2-methylpropanamide
PubChem CID16933276
Molecular FormulaC22H31N3O3S2
Molecular Weight449.64 g/mol
Exact Mass449.18
IUPAC NameN-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCCCCC2)cc1
InChIInChI=1S/C22H31N3O3S2/c1-17(2)22(26)24-19-7-9-20(10-8-19)30(27,28)23-15-21(18-11-14-29-16-18)25-12-5-3-4-6-13-25/h7-11,14,16-17,21,23H,3-6,12-13,15H2,1-2H3,(H,24,26)
InChIKeyCGHLOCSNFBPECM-UHFFFAOYSA-N
XLogP4.24
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.64
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]-2-methylpropanamide 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-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]butanamide
CID 16933277
N-[4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]butanamide
CID 16933077
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide
CID 16933238
4-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16932838
4-propan-2-yl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 40863323
N-[4-[[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide
CID 16932914
4-bromo-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16932837
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-fluorobenzenesulfonamide
CID 40863945
4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933039
2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide
CID 16931597
N-[2,6-dimethyl-4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]acetamide
CID 16933080
N-[2-fluoro-4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]acetamide
CID 16933081

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]-2-methylpropanamide (CID 16933276) is N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCCCCC2)cc1.
What is the InChIKey of N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]-2-methylpropanamide?
The InChIKey is CGHLOCSNFBPECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3S2/c1-17(2)22(26)24-19-7-9-20(10-8-19)30(27,28)23-15-21(18-11-14-29-16-18)25-12-5-3-4-6-13-25/h7-11,14,16-17,21,23H,3-6,12-13,15H2,1-2H3,(H,24,26).
What are the key properties of N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]-2-methylpropanamide?
N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]-2-methylpropanamide has a molecular weight of 449.64 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 16933276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).