4-methoxy-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide

C26H29N3O5S — CID 2974294

IUPAC4-methoxy-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(N(C)S(=O)(=O)c4ccc(OC)cc4)cc3)CC2)cc1
InChIInChI=1S/C26H29N3O5S/c1-27(35(31,32)25-14-12-24(34-3)13-15-25)21-6-4-20(5-7-21)26(30)29-18-16-28(17-19-29)22-8-10-23(33-2)11-9-22/h4-15H,16-19H2,1-3H3
InChIKeyVRJIOSMVLYXXAC-UHFFFAOYSA-N
MW495.60 g/mol
LogP3.49
Rot. Bonds7

About 4-methoxy-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide

4-methoxy-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide (PubChem CID 2974294) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is 4-methoxy-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
PubChem CID2974294
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC Name4-methoxy-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(N(C)S(=O)(=O)c4ccc(OC)cc4)cc3)CC2)cc1
InChIInChI=1S/C26H29N3O5S/c1-27(35(31,32)25-14-12-24(34-3)13-15-25)21-6-4-20(5-7-21)26(30)29-18-16-28(17-19-29)22-8-10-23(33-2)11-9-22/h4-15H,16-19H2,1-3H3
InChIKeyVRJIOSMVLYXXAC-UHFFFAOYSA-N
XLogP3.49
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide (CID 2974294) is 4-methoxy-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide is COc1ccc(N2CCN(C(=O)c3ccc(N(C)S(=O)(=O)c4ccc(OC)cc4)cc3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide?
The InChIKey is VRJIOSMVLYXXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-27(35(31,32)25-14-12-24(34-3)13-15-25)21-6-4-20(5-7-21)26(30)29-18-16-28(17-19-29)22-8-10-23(33-2)11-9-22/h4-15H,16-19H2,1-3H3.
What are the key properties of 4-methoxy-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide?
4-methoxy-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide has a molecular weight of 495.60 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 2974294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).