2-methoxy-5-methyl-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide

C19H25N3O4S2 — CID 90500432

IUPAC2-methoxy-5-methyl-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCN1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C19H25N3O4S2/c1-15-3-4-17(26-2)18(13-15)28(24,25)20-6-7-21-8-10-22(11-9-21)19(23)16-5-12-27-14-16/h3-5,12-14,20H,6-11H2,1-2H3
InChIKeyBTVPKWZOOKIELV-UHFFFAOYSA-N
MW423.56 g/mol
LogP1.80
Rot. Bonds7

About 2-methoxy-5-methyl-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide

2-methoxy-5-methyl-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide (PubChem CID 90500432) has the molecular formula C19H25N3O4S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
PubChem CID90500432
Molecular FormulaC19H25N3O4S2
Molecular Weight423.56 g/mol
Exact Mass423.13
IUPAC Name2-methoxy-5-methyl-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCN1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C19H25N3O4S2/c1-15-3-4-17(26-2)18(13-15)28(24,25)20-6-7-21-8-10-22(11-9-21)19(23)16-5-12-27-14-16/h3-5,12-14,20H,6-11H2,1-2H3
InChIKeyBTVPKWZOOKIELV-UHFFFAOYSA-N
XLogP1.80
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-methyl-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 90500434
1-(3-methylphenyl)-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide
CID 90500443
2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824169
N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 90500457
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 42267714
2-methoxy-N-(2-pyrrolidin-1-ylethyl)-5-[4-[(thiophen-3-ylmethylamino)methyl]phenyl]benzenesulfonamide
CID 44523807
2,5-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103803
2-methoxy-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 99843579
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 86768049
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2-methoxy-5-methylbenzenesulfonamide
CID 110371060
N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 55697852
N-(2-methoxy-5-methylphenyl)-2-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]propanamide
CID 60523878

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide (CID 90500432) is 2-methoxy-5-methyl-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCCN1CCN(C(=O)c2ccsc2)CC1.
What is the InChIKey of 2-methoxy-5-methyl-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is BTVPKWZOOKIELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S2/c1-15-3-4-17(26-2)18(13-15)28(24,25)20-6-7-21-8-10-22(11-9-21)19(23)16-5-12-27-14-16/h3-5,12-14,20H,6-11H2,1-2H3.
What are the key properties of 2-methoxy-5-methyl-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide?
2-methoxy-5-methyl-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 423.56 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 90500432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).