N-ethyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzothiophen-5-yl]methanesulfonamide

C23H27N3O4S2 — CID 50810721

IUPACN-ethyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzothiophen-5-yl]methanesulfonamide
SMILESCCN(c1ccc2sc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2c1)S(C)(=O)=O
InChIInChI=1S/C23H27N3O4S2/c1-4-26(32(3,28)29)19-7-10-21-17(15-19)16-22(31-21)23(27)25-13-11-24(12-14-25)18-5-8-20(30-2)9-6-18/h5-10,15-16H,4,11-14H2,1-3H3
InChIKeyAZRRHSNSGAWUEN-UHFFFAOYSA-N
MW473.62 g/mol
LogP3.66
Rot. Bonds6

About N-ethyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzothiophen-5-yl]methanesulfonamide

N-ethyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzothiophen-5-yl]methanesulfonamide (PubChem CID 50810721) has the molecular formula C23H27N3O4S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-ethyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzothiophen-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzothiophen-5-yl]methanesulfonamide
PubChem CID50810721
Molecular FormulaC23H27N3O4S2
Molecular Weight473.62 g/mol
Exact Mass473.14
IUPAC NameN-ethyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzothiophen-5-yl]methanesulfonamide
SMILESCCN(c1ccc2sc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2c1)S(C)(=O)=O
InChIInChI=1S/C23H27N3O4S2/c1-4-26(32(3,28)29)19-7-10-21-17(15-19)16-22(31-21)23(27)25-13-11-24(12-14-25)18-5-8-20(30-2)9-6-18/h5-10,15-16H,4,11-14H2,1-3H3
InChIKeyAZRRHSNSGAWUEN-UHFFFAOYSA-N
XLogP3.66
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-ethyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzothiophen-5-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzothiophen-5-yl]benzenesulfonamide
CID 100768024
N-[2-(azepane-1-carbonyl)-1-benzothiophen-5-yl]-N-methylmethanesulfonamide
CID 50810442
[4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9159073
N-(1,3-benzodioxol-5-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 6488919
ethyl 5-[[4-(4-methoxyphenyl)piperazine-1-carbonyl]amino]-1-benzothiophene-2-carboxylate
CID 55740991
1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 7578142
N-benzyl-5-[ethyl(methylsulfonyl)amino]-N-methyl-1-benzothiophene-2-carboxamide
CID 50810660
N-[2-(4-benzhydrylpiperazine-1-carbonyl)-1-benzothiophen-5-yl]-N-[(4-chlorophenyl)methyl]methanesulfonamide
CID 17246766
4-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 30266279
2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzo[g][1]benzothiole-5-sulfonyl chloride
CID 166137479
N-(3,5-dimethylphenyl)-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]methanesulfonamide
CID 100771035
methyl (2S)-4-[5-[ethyl-(4-methoxyphenyl)sulfonylamino]-1-benzothiophene-2-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 100768336

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzothiophen-5-yl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzothiophen-5-yl]methanesulfonamide (CID 50810721) is N-ethyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzothiophen-5-yl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzothiophen-5-yl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzothiophen-5-yl]methanesulfonamide is CCN(c1ccc2sc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2c1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzothiophen-5-yl]methanesulfonamide?
The InChIKey is AZRRHSNSGAWUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S2/c1-4-26(32(3,28)29)19-7-10-21-17(15-19)16-22(31-21)23(27)25-13-11-24(12-14-25)18-5-8-20(30-2)9-6-18/h5-10,15-16H,4,11-14H2,1-3H3.
What are the key properties of N-ethyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzothiophen-5-yl]methanesulfonamide?
N-ethyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzothiophen-5-yl]methanesulfonamide has a molecular weight of 473.62 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzothiophen-5-yl]methanesulfonamide is sourced from PubChem (CID 50810721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).