N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide

C22H23N3O4S2 — CID 6621172

IUPACN-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)CC2)cc1
InChIInChI=1S/C22H23N3O4S2/c1-29-20-10-8-19(9-11-20)24-12-14-25(15-13-24)22(26)17-4-6-18(7-5-17)23-31(27,28)21-3-2-16-30-21/h2-11,16,23H,12-15H2,1H3
InChIKeyRENFGOBSKUKSAS-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.52
Rot. Bonds6

About N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide

N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide (PubChem CID 6621172) has the molecular formula C22H23N3O4S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
PubChem CID6621172
Molecular FormulaC22H23N3O4S2
Molecular Weight457.58 g/mol
Exact Mass457.11
IUPAC NameN-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)CC2)cc1
InChIInChI=1S/C22H23N3O4S2/c1-29-20-10-8-19(9-11-20)24-12-14-25(15-13-24)22(26)17-4-6-18(7-5-17)23-31(27,28)21-3-2-16-30-21/h2-11,16,23H,12-15H2,1H3
InChIKeyRENFGOBSKUKSAS-UHFFFAOYSA-N
XLogP3.52
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.52
H-Bond Donors ≤ 51
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 N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide (CID 6621172) is N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide is COc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is RENFGOBSKUKSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S2/c1-29-20-10-8-19(9-11-20)24-12-14-25(15-13-24)22(26)17-4-6-18(7-5-17)23-31(27,28)21-3-2-16-30-21/h2-11,16,23H,12-15H2,1H3.
What are the key properties of N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide?
N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 457.58 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 6621172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).