1-(3-methylphenyl)-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide

C19H25N3O3S2 — CID 90500443

IUPAC1-(3-methylphenyl)-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCCN2CCN(C(=O)c3ccsc3)CC2)c1
InChIInChI=1S/C19H25N3O3S2/c1-16-3-2-4-17(13-16)15-27(24,25)20-6-7-21-8-10-22(11-9-21)19(23)18-5-12-26-14-18/h2-5,12-14,20H,6-11,15H2,1H3
InChIKeyBSOQUGHKPALEKA-UHFFFAOYSA-N
MW407.56 g/mol
LogP1.93
Rot. Bonds7

About 1-(3-methylphenyl)-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide

1-(3-methylphenyl)-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide (PubChem CID 90500443) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide
PubChem CID90500443
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC Name1-(3-methylphenyl)-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCCN2CCN(C(=O)c3ccsc3)CC2)c1
InChIInChI=1S/C19H25N3O3S2/c1-16-3-2-4-17(13-16)15-27(24,25)20-6-7-21-8-10-22(11-9-21)19(23)18-5-12-26-14-18/h2-5,12-14,20H,6-11,15H2,1H3
InChIKeyBSOQUGHKPALEKA-UHFFFAOYSA-N
XLogP1.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-methylphenyl)-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide with MolForge

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Related Compounds

2-methoxy-5-methyl-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 90500432
N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 90500457
5-chloro-2-methyl-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 90500434
2,5-difluoro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 90500480
[4-(2-chloroethyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 63395349
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 29344503
N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride
CID 71782823
(5R)-2-[(3-methylphenyl)methyl]-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373851
(4-methylphenyl)-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110365452
2-[(3-methylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110285240
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 29344573
[3-(benzenesulfonylmethyl)phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 46492077

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of 1-(3-methylphenyl)-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide (CID 90500443) is 1-(3-methylphenyl)-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for 1-(3-methylphenyl)-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide is Cc1cccc(CS(=O)(=O)NCCN2CCN(C(=O)c3ccsc3)CC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide?
The InChIKey is BSOQUGHKPALEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-16-3-2-4-17(13-16)15-27(24,25)20-6-7-21-8-10-22(11-9-21)19(23)18-5-12-26-14-18/h2-5,12-14,20H,6-11,15H2,1H3.
What are the key properties of 1-(3-methylphenyl)-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide?
1-(3-methylphenyl)-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide has a molecular weight of 407.56 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 90500443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).