N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)methanesulfonamide

C19H25FN2O2S2 — CID 29237994

IUPACN-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NC[C@@H](c1ccsc1)N1CCCCCC1
InChIInChI=1S/C19H25FN2O2S2/c20-18-7-5-16(6-8-18)15-26(23,24)21-13-19(17-9-12-25-14-17)22-10-3-1-2-4-11-22/h5-9,12,14,19,21H,1-4,10-11,13,15H2/t19-/m0/s1
InChIKeyQFTSYIPUHRSMSG-IBGZPJMESA-N
MW396.55 g/mol
LogP3.92
Rot. Bonds7

About N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)methanesulfonamide

N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 29237994) has the molecular formula C19H25FN2O2S2 and a molecular weight of 396.55 g/mol. Its IUPAC name is N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)methanesulfonamide
PubChem CID29237994
Molecular FormulaC19H25FN2O2S2
Molecular Weight396.55 g/mol
Exact Mass396.13
IUPAC NameN-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NC[C@@H](c1ccsc1)N1CCCCCC1
InChIInChI=1S/C19H25FN2O2S2/c20-18-7-5-16(6-8-18)15-26(23,24)21-13-19(17-9-12-25-14-17)22-10-3-1-2-4-11-22/h5-9,12,14,19,21H,1-4,10-11,13,15H2/t19-/m0/s1
InChIKeyQFTSYIPUHRSMSG-IBGZPJMESA-N
XLogP3.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-fluorobenzenesulfonamide
CID 40863945
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)methanesulfonamide
CID 112506666
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(2-methoxyphenyl)methanesulfonamide
CID 16933305
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 29238068
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848634
N-[(2S)-2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 29342845
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-fluorophenoxy)acetamide
CID 40847718
4-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16932838
4-bromo-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16932837
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide
CID 16933238
1-(4-fluorophenyl)-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide
CID 40828955
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide
CID 16933225

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)methanesulfonamide (CID 29237994) is N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NC[C@@H](c1ccsc1)N1CCCCCC1.
What is the InChIKey of N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is QFTSYIPUHRSMSG-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25FN2O2S2/c20-18-7-5-16(6-8-18)15-26(23,24)21-13-19(17-9-12-25-14-17)22-10-3-1-2-4-11-22/h5-9,12,14,19,21H,1-4,10-11,13,15H2/t19-/m0/s1.
What are the key properties of N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)methanesulfonamide?
N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 396.55 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 29237994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).