N-(4-butan-2-ylphenyl)-4-[[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxyphenyl]sulfamoyl]benzamide

C32H40N4O4S — CID 44529835

IUPACN-(4-butan-2-ylphenyl)-4-[[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxyphenyl]sulfamoyl]benzamide
SMILESCCC(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)c(N4CCN(CC5CC5)CC4)c3)cc2)cc1
InChIInChI=1S/C32H40N4O4S/c1-4-23(2)25-7-11-27(12-8-25)33-32(37)26-9-14-29(15-10-26)41(38,39)34-28-13-16-31(40-3)30(21-28)36-19-17-35(18-20-36)22-24-5-6-24/h7-16,21,23-24,34H,4-6,17-20,22H2,1-3H3,(H,33,37)
InChIKeyTUUZZFRUFZPDTB-UHFFFAOYSA-N
MW576.76 g/mol
LogP5.79
Rot. Bonds11

About N-(4-butan-2-ylphenyl)-4-[[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxyphenyl]sulfamoyl]benzamide

N-(4-butan-2-ylphenyl)-4-[[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxyphenyl]sulfamoyl]benzamide (PubChem CID 44529835) has the molecular formula C32H40N4O4S and a molecular weight of 576.76 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-4-[[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxyphenyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-4-[[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxyphenyl]sulfamoyl]benzamide
PubChem CID44529835
Molecular FormulaC32H40N4O4S
Molecular Weight576.76 g/mol
Exact Mass576.28
IUPAC NameN-(4-butan-2-ylphenyl)-4-[[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxyphenyl]sulfamoyl]benzamide
SMILESCCC(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)c(N4CCN(CC5CC5)CC4)c3)cc2)cc1
InChIInChI=1S/C32H40N4O4S/c1-4-23(2)25-7-11-27(12-8-25)33-32(37)26-9-14-29(15-10-26)41(38,39)34-28-13-16-31(40-3)30(21-28)36-19-17-35(18-20-36)22-24-5-6-24/h7-16,21,23-24,34H,4-6,17-20,22H2,1-3H3,(H,33,37)
InChIKeyTUUZZFRUFZPDTB-UHFFFAOYSA-N
XLogP5.79
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.76
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-butan-2-ylphenyl)-4-[[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxyphenyl]sulfamoyl]benzamide with MolForge

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Related Compounds

4-[[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxyphenyl]sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 44529833
3-[[4-methoxy-3-[4-(2-methylpropyl)piperazin-1-yl]phenyl]sulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 44536674
4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 22202165
3-[[3-(4-butylpiperazin-1-yl)-4-methoxyphenyl]sulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 44536672
N-[4-[(2R)-butan-2-yl]phenyl]-4-piperidin-1-ylsulfonylbenzamide
CID 7935734
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653660
N-[4-[(2R)-butan-2-yl]phenyl]-4-methylsulfonylbenzamide
CID 2461107
N-butan-2-yl-4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzamide
CID 109059069
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 18180115
N-[4-[(2S)-butan-2-yl]phenyl]-4-methoxy-3-nitrobenzamide
CID 7303730
4-bromo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 6918647
N-(3-amino-4-methoxyphenyl)-4-(butan-2-ylsulfamoyl)benzamide
CID 119420171

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-4-[[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxyphenyl]sulfamoyl]benzamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-4-[[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxyphenyl]sulfamoyl]benzamide (CID 44529835) is N-(4-butan-2-ylphenyl)-4-[[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxyphenyl]sulfamoyl]benzamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-4-[[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxyphenyl]sulfamoyl]benzamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-4-[[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxyphenyl]sulfamoyl]benzamide is CCC(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)c(N4CCN(CC5CC5)CC4)c3)cc2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-4-[[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxyphenyl]sulfamoyl]benzamide?
The InChIKey is TUUZZFRUFZPDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O4S/c1-4-23(2)25-7-11-27(12-8-25)33-32(37)26-9-14-29(15-10-26)41(38,39)34-28-13-16-31(40-3)30(21-28)36-19-17-35(18-20-36)22-24-5-6-24/h7-16,21,23-24,34H,4-6,17-20,22H2,1-3H3,(H,33,37).
What are the key properties of N-(4-butan-2-ylphenyl)-4-[[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxyphenyl]sulfamoyl]benzamide?
N-(4-butan-2-ylphenyl)-4-[[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxyphenyl]sulfamoyl]benzamide has a molecular weight of 576.76 g/mol, XLogP of 5.79, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-4-[[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxyphenyl]sulfamoyl]benzamide is sourced from PubChem (CID 44529835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).