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

C18H22FN3O3S2 — CID 16933081

IUPACN-[2-fluoro-4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCCC2)cc1F
InChIInChI=1S/C18H22FN3O3S2/c1-13(23)21-17-5-4-15(10-16(17)19)27(24,25)20-11-18(14-6-9-26-12-14)22-7-2-3-8-22/h4-6,9-10,12,18,20H,2-3,7-8,11H2,1H3,(H,21,23)
InChIKeyVUDRAHHOAWUXFV-UHFFFAOYSA-N
MW411.52 g/mol
LogP2.96
Rot. Bonds7

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

N-[2-fluoro-4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]acetamide (PubChem CID 16933081) has the molecular formula C18H22FN3O3S2 and a molecular weight of 411.52 g/mol. Its IUPAC name is N-[2-fluoro-4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]acetamide
PubChem CID16933081
Molecular FormulaC18H22FN3O3S2
Molecular Weight411.52 g/mol
Exact Mass411.11
IUPAC NameN-[2-fluoro-4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCCC2)cc1F
InChIInChI=1S/C18H22FN3O3S2/c1-13(23)21-17-5-4-15(10-16(17)19)27(24,25)20-11-18(14-6-9-26-12-14)22-7-2-3-8-22/h4-6,9-10,12,18,20H,2-3,7-8,11H2,1H3,(H,21,23)
InChIKeyVUDRAHHOAWUXFV-UHFFFAOYSA-N
XLogP2.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]sulfamoyl]-2-fluorophenyl]acetamide
CID 16933381
N-[2,6-dimethyl-4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]acetamide
CID 16933080
3-chloro-4-fluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 40863071
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
N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]-2-methylpropanamide
CID 16933276
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
N-[4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]butanamide
CID 16933077
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]naphthalene-2-sulfonamide
CID 40863993

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]acetamide (CID 16933081) is N-[2-fluoro-4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCCC2)cc1F.
What is the InChIKey of N-[2-fluoro-4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]acetamide?
The InChIKey is VUDRAHHOAWUXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S2/c1-13(23)21-17-5-4-15(10-16(17)19)27(24,25)20-11-18(14-6-9-26-12-14)22-7-2-3-8-22/h4-6,9-10,12,18,20H,2-3,7-8,11H2,1H3,(H,21,23).
What are the key properties of N-[2-fluoro-4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]acetamide?
N-[2-fluoro-4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]acetamide has a molecular weight of 411.52 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 16933081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).