4-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]-N-[4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide

C34H42ClN5O4S — CID 67371599

IUPAC4-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]-N-[4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide
SMILESCC(C)S(=O)(=O)N1CCN(Cc2ccc(NC(=O)c3ccc(-c4cc(NC(=O)NC5CCCCC5)ccc4Cl)cc3)cc2)CC1
InChIInChI=1S/C34H42ClN5O4S/c1-24(2)45(43,44)40-20-18-39(19-21-40)23-25-8-14-29(15-9-25)36-33(41)27-12-10-26(11-13-27)31-22-30(16-17-32(31)35)38-34(42)37-28-6-4-3-5-7-28/h8-17,22,24,28H,3-7,18-21,23H2,1-2H3,(H,36,41)(H2,37,38,42)
InChIKeyKVHHCPHBQKHEDL-UHFFFAOYSA-N
MW652.26 g/mol
LogP6.57
Rot. Bonds9

About 4-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]-N-[4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide

4-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]-N-[4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide (PubChem CID 67371599) has the molecular formula C34H42ClN5O4S and a molecular weight of 652.26 g/mol. Its IUPAC name is 4-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]-N-[4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]-N-[4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide
PubChem CID67371599
Molecular FormulaC34H42ClN5O4S
Molecular Weight652.26 g/mol
Exact Mass651.26
IUPAC Name4-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]-N-[4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide
SMILESCC(C)S(=O)(=O)N1CCN(Cc2ccc(NC(=O)c3ccc(-c4cc(NC(=O)NC5CCCCC5)ccc4Cl)cc3)cc2)CC1
InChIInChI=1S/C34H42ClN5O4S/c1-24(2)45(43,44)40-20-18-39(19-21-40)23-25-8-14-29(15-9-25)36-33(41)27-12-10-26(11-13-27)31-22-30(16-17-32(31)35)38-34(42)37-28-6-4-3-5-7-28/h8-17,22,24,28H,3-7,18-21,23H2,1-2H3,(H,36,41)(H2,37,38,42)
InChIKeyKVHHCPHBQKHEDL-UHFFFAOYSA-N
XLogP6.57
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.26
LogP ≤ 56.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]-N-[4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide 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

4-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 67371224
4-(2-chlorophenyl)-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide
CID 141171867
ethyl 4-[2-chloro-5-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]benzoate
CID 67372382
4-[2-chloro-5-(cyclopropanecarbonylamino)phenyl]-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide
CID 71588888
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43922194
N-(4-chlorophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919467
3-(cyclopropylcarbamoylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 55911957
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(4-propan-2-yloxyphenyl)benzamide
CID 38097965
N-(3-chloro-4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43922033
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43925178
N-(4-bromophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919548
4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180621

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]-N-[4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide?
The IUPAC name of 4-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]-N-[4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide (CID 67371599) is 4-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]-N-[4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 4-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]-N-[4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide?
The canonical SMILES for 4-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]-N-[4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide is CC(C)S(=O)(=O)N1CCN(Cc2ccc(NC(=O)c3ccc(-c4cc(NC(=O)NC5CCCCC5)ccc4Cl)cc3)cc2)CC1.
What is the InChIKey of 4-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]-N-[4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide?
The InChIKey is KVHHCPHBQKHEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42ClN5O4S/c1-24(2)45(43,44)40-20-18-39(19-21-40)23-25-8-14-29(15-9-25)36-33(41)27-12-10-26(11-13-27)31-22-30(16-17-32(31)35)38-34(42)37-28-6-4-3-5-7-28/h8-17,22,24,28H,3-7,18-21,23H2,1-2H3,(H,36,41)(H2,37,38,42).
What are the key properties of 4-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]-N-[4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide?
4-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]-N-[4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide has a molecular weight of 652.26 g/mol, XLogP of 6.57, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]-N-[4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 67371599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).