N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide

C19H26N2O2S2 — CID 16933238

IUPACN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCCCCC2)cc1
InChIInChI=1S/C19H26N2O2S2/c1-16-6-8-18(9-7-16)25(22,23)20-14-19(17-10-13-24-15-17)21-11-4-2-3-5-12-21/h6-10,13,15,19-20H,2-5,11-12,14H2,1H3
InChIKeyNQZBRDXINNMOJD-UHFFFAOYSA-N
MW378.56 g/mol
LogP3.95
Rot. Bonds6

About N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide

N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide (PubChem CID 16933238) has the molecular formula C19H26N2O2S2 and a molecular weight of 378.56 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide
PubChem CID16933238
Molecular FormulaC19H26N2O2S2
Molecular Weight378.56 g/mol
Exact Mass378.14
IUPAC NameN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCCCCC2)cc1
InChIInChI=1S/C19H26N2O2S2/c1-16-6-8-18(9-7-16)25(22,23)20-14-19(17-10-13-24-15-17)21-11-4-2-3-5-12-21/h6-10,13,15,19-20H,2-5,11-12,14H2,1H3
InChIKeyNQZBRDXINNMOJD-UHFFFAOYSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-fluorobenzenesulfonamide
CID 40863945
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-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
CID 2784014
N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]-2-methylpropanamide
CID 16933276
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]naphthalene-2-sulfonamide
CID 40863993
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 16933273
N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]butanamide
CID 16933277
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 16933285
N-[4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]butanamide
CID 16933077

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide (CID 16933238) is N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCCCCC2)cc1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide?
The InChIKey is NQZBRDXINNMOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S2/c1-16-6-8-18(9-7-16)25(22,23)20-14-19(17-10-13-24-15-17)21-11-4-2-3-5-12-21/h6-10,13,15,19-20H,2-5,11-12,14H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide?
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide has a molecular weight of 378.56 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 16933238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).