N,N-diethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylindole-5-sulfonamide

C25H32N4O4S — CID 50801779

IUPACN,N-diethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2C
InChIInChI=1S/C25H32N4O4S/c1-5-29(6-2)34(31,32)22-11-12-23-19(17-22)18-24(26(23)3)25(30)28-15-13-27(14-16-28)20-7-9-21(33-4)10-8-20/h7-12,17-18H,5-6,13-16H2,1-4H3
InChIKeyHSGVQXJZKWDECK-UHFFFAOYSA-N
MW484.62 g/mol
LogP3.18
Rot. Bonds7

About N,N-diethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylindole-5-sulfonamide

N,N-diethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylindole-5-sulfonamide (PubChem CID 50801779) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylindole-5-sulfonamide
PubChem CID50801779
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC NameN,N-diethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2C
InChIInChI=1S/C25H32N4O4S/c1-5-29(6-2)34(31,32)22-11-12-23-19(17-22)18-24(26(23)3)25(30)28-15-13-27(14-16-28)20-7-9-21(33-4)10-8-20/h7-12,17-18H,5-6,13-16H2,1-4H3
InChIKeyHSGVQXJZKWDECK-UHFFFAOYSA-N
XLogP3.18
TPSA75.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 53.18
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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Related Compounds

N,N-diethyl-1-methyl-2-[(3R)-3-methylpiperidine-1-carbonyl]indole-5-sulfonamide
CID 93075951
3-chloro-N-ethyl-4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 92645702
3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 2664335
[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1,5-dimethylpyrrol-2-yl]-piperidin-1-ylmethanone
CID 53068718
5-(diethylsulfamoyl)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]indole-2-carboxamide
CID 50801966
(4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone
CID 110849904
4-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-propylbenzenesulfonamide
CID 55412015
[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42759712
3,4-dimethoxy-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 126410630
[4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9159073
N,N-diethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 2197299
5-(diethylsulfamoyl)-1-methyl-N-[(4-methylphenyl)methyl]indole-2-carboxamide
CID 50802016

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylindole-5-sulfonamide?
The IUPAC name of N,N-diethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylindole-5-sulfonamide (CID 50801779) is N,N-diethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylindole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylindole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylindole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2C.
What is the InChIKey of N,N-diethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylindole-5-sulfonamide?
The InChIKey is HSGVQXJZKWDECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S/c1-5-29(6-2)34(31,32)22-11-12-23-19(17-22)18-24(26(23)3)25(30)28-15-13-27(14-16-28)20-7-9-21(33-4)10-8-20/h7-12,17-18H,5-6,13-16H2,1-4H3.
What are the key properties of N,N-diethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylindole-5-sulfonamide?
N,N-diethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylindole-5-sulfonamide has a molecular weight of 484.62 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylindole-5-sulfonamide is sourced from PubChem (CID 50801779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).