N-[4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]butanamide

C20H27N3O3S2 — CID 16933077

IUPACN-[4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCCC2)cc1
InChIInChI=1S/C20H27N3O3S2/c1-2-5-20(24)22-17-6-8-18(9-7-17)28(25,26)21-14-19(16-10-13-27-15-16)23-11-3-4-12-23/h6-10,13,15,19,21H,2-5,11-12,14H2,1H3,(H,22,24)
InChIKeyZILVYZBFPLOWAB-UHFFFAOYSA-N
MW421.59 g/mol
LogP3.60
Rot. Bonds9

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

N-[4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]butanamide (PubChem CID 16933077) has the molecular formula C20H27N3O3S2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]butanamide
PubChem CID16933077
Molecular FormulaC20H27N3O3S2
Molecular Weight421.59 g/mol
Exact Mass421.15
IUPAC NameN-[4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCCC2)cc1
InChIInChI=1S/C20H27N3O3S2/c1-2-5-20(24)22-17-6-8-18(9-7-17)28(25,26)21-14-19(16-10-13-27-15-16)23-11-3-4-12-23/h6-10,13,15,19,21H,2-5,11-12,14H2,1H3,(H,22,24)
InChIKeyZILVYZBFPLOWAB-UHFFFAOYSA-N
XLogP3.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]butanamide
CID 16933277
N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]-2-methylpropanamide
CID 16933276
N-[4-[[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide
CID 16932914
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
4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933039
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
N-[4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide
CID 16933314
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-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]butanamide?
The IUPAC name of N-[4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]butanamide (CID 16933077) is N-[4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]butanamide?
The canonical SMILES for N-[4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]butanamide is CCCC(=O)Nc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCCC2)cc1.
What is the InChIKey of N-[4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]butanamide?
The InChIKey is ZILVYZBFPLOWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S2/c1-2-5-20(24)22-17-6-8-18(9-7-17)28(25,26)21-14-19(16-10-13-27-15-16)23-11-3-4-12-23/h6-10,13,15,19,21H,2-5,11-12,14H2,1H3,(H,22,24).
What are the key properties of N-[4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]butanamide?
N-[4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]butanamide has a molecular weight of 421.59 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 16933077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).