1-(4-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]methanesulfonamide

C19H24FNO3S2 — CID 121179132

IUPAC1-(4-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]methanesulfonamide
SMILESCC(O)c1ccc(C2(CNS(=O)(=O)Cc3ccc(F)cc3)CCCC2)s1
InChIInChI=1S/C19H24FNO3S2/c1-14(22)17-8-9-18(25-17)19(10-2-3-11-19)13-21-26(23,24)12-15-4-6-16(20)7-5-15/h4-9,14,21-22H,2-3,10-13H2,1H3
InChIKeyYUTPDGAKHUBCBQ-UHFFFAOYSA-N
MW397.54 g/mol
LogP3.87
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]methanesulfonamide

1-(4-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]methanesulfonamide (PubChem CID 121179132) has the molecular formula C19H24FNO3S2 and a molecular weight of 397.54 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]methanesulfonamide
PubChem CID121179132
Molecular FormulaC19H24FNO3S2
Molecular Weight397.54 g/mol
Exact Mass397.12
IUPAC Name1-(4-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]methanesulfonamide
SMILESCC(O)c1ccc(C2(CNS(=O)(=O)Cc3ccc(F)cc3)CCCC2)s1
InChIInChI=1S/C19H24FNO3S2/c1-14(22)17-8-9-18(25-17)19(10-2-3-11-19)13-21-26(23,24)12-15-4-6-16(20)7-5-15/h4-9,14,21-22H,2-3,10-13H2,1H3
InChIKeyYUTPDGAKHUBCBQ-UHFFFAOYSA-N
XLogP3.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propane-1-sulfonamide
CID 121179107
1-(2-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]methanesulfonamide
CID 121179131
2,5-difluoro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzenesulfonamide
CID 121179138
5-chloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide
CID 121179141
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 121179144
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide
CID 91817514
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 121179165
(E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2-phenylethenesulfonamide
CID 121179119
N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 100721790
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]acetamide
CID 121178927
N-[[1-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-2,5-dimethylbenzenesulfonamide
CID 100721577
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzenesulfonamide
CID 121179152

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]methanesulfonamide (CID 121179132) is 1-(4-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]methanesulfonamide is CC(O)c1ccc(C2(CNS(=O)(=O)Cc3ccc(F)cc3)CCCC2)s1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]methanesulfonamide?
The InChIKey is YUTPDGAKHUBCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO3S2/c1-14(22)17-8-9-18(25-17)19(10-2-3-11-19)13-21-26(23,24)12-15-4-6-16(20)7-5-15/h4-9,14,21-22H,2-3,10-13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]methanesulfonamide has a molecular weight of 397.54 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]methanesulfonamide is sourced from PubChem (CID 121179132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).