N-[2-[5-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide

C18H23N3O3S2 — CID 27007642

IUPACN-[2-[5-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)N2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C18H23N3O3S2/c1-26(23,24)19-10-9-16-7-8-17(25-16)18(22)21-13-11-20(12-14-21)15-5-3-2-4-6-15/h2-8,19H,9-14H2,1H3
InChIKeyGAJUIWQWWZKPSS-UHFFFAOYSA-N
MW393.53 g/mol
LogP1.80
Rot. Bonds6

About N-[2-[5-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide

N-[2-[5-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide (PubChem CID 27007642) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[2-[5-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide
PubChem CID27007642
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC NameN-[2-[5-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)N2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C18H23N3O3S2/c1-26(23,24)19-10-9-16-7-8-17(25-16)18(22)21-13-11-20(12-14-21)15-5-3-2-4-6-15/h2-8,19H,9-14H2,1H3
InChIKeyGAJUIWQWWZKPSS-UHFFFAOYSA-N
XLogP1.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-4-[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]piperazine-1-carboxamide
CID 34220105
N-[2-[5-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbonyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 24545400
N-[2-[5-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazine-1-carbonyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 51644309
N-[2-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride
CID 120819420
[5-(4-methylphenyl)sulfonylthiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 53124548
N-[2-[5-[2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 55579164
N-benzyl-5-[2-(methanesulfonamido)ethyl]-N-propylthiophene-2-carboxamide
CID 46533734
[4-(4-methylsulfonylphenyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 136518800
N-(2-aminoethyl)-5-[2-(methanesulfonamido)ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide;hydrochloride
CID 120886799
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 36676092
1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 7578142
N-[2-[5-[[(4-bromo-1-methylpyrrole-2-carbonyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 24533063

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[5-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide (CID 27007642) is N-[2-[5-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[5-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCc1ccc(C(=O)N2CCN(c3ccccc3)CC2)s1.
What is the InChIKey of N-[2-[5-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide?
The InChIKey is GAJUIWQWWZKPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-26(23,24)19-10-9-16-7-8-17(25-16)18(22)21-13-11-20(12-14-21)15-5-3-2-4-6-15/h2-8,19H,9-14H2,1H3.
What are the key properties of N-[2-[5-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide?
N-[2-[5-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide has a molecular weight of 393.53 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 27007642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).