N-[4-[[[4-(methanesulfonamidomethyl)-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]phenyl]acetamide

C24H33N3O4S — CID 23161016

IUPACN-[4-[[[4-(methanesulfonamidomethyl)-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]phenyl]acetamide
SMILESCOc1cccc(C2(CNS(C)(=O)=O)CCC(NCc3ccc(NC(C)=O)cc3)CC2)c1
InChIInChI=1S/C24H33N3O4S/c1-18(28)27-22-9-7-19(8-10-22)16-25-21-11-13-24(14-12-21,17-26-32(3,29)30)20-5-4-6-23(15-20)31-2/h4-10,15,21,25-26H,11-14,16-17H2,1-3H3,(H,27,28)
InChIKeyQCJNKENQXCZWDY-UHFFFAOYSA-N
MW459.61 g/mol
LogP3.17
Rot. Bonds9

About N-[4-[[[4-(methanesulfonamidomethyl)-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]phenyl]acetamide

N-[4-[[[4-(methanesulfonamidomethyl)-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]phenyl]acetamide (PubChem CID 23161016) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is N-[4-[[[4-(methanesulfonamidomethyl)-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[[4-(methanesulfonamidomethyl)-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]phenyl]acetamide
PubChem CID23161016
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC NameN-[4-[[[4-(methanesulfonamidomethyl)-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]phenyl]acetamide
SMILESCOc1cccc(C2(CNS(C)(=O)=O)CCC(NCc3ccc(NC(C)=O)cc3)CC2)c1
InChIInChI=1S/C24H33N3O4S/c1-18(28)27-22-9-7-19(8-10-22)16-25-21-11-13-24(14-12-21,17-26-32(3,29)30)20-5-4-6-23(15-20)31-2/h4-10,15,21,25-26H,11-14,16-17H2,1-3H3,(H,27,28)
InChIKeyQCJNKENQXCZWDY-UHFFFAOYSA-N
XLogP3.17
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[[4-(methanesulfonamidomethyl)-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[[4-(methanesulfonamidomethyl)-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]phenyl]acetamide (CID 23161016) is N-[4-[[[4-(methanesulfonamidomethyl)-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[[4-(methanesulfonamidomethyl)-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[[4-(methanesulfonamidomethyl)-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]phenyl]acetamide is COc1cccc(C2(CNS(C)(=O)=O)CCC(NCc3ccc(NC(C)=O)cc3)CC2)c1.
What is the InChIKey of N-[4-[[[4-(methanesulfonamidomethyl)-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]phenyl]acetamide?
The InChIKey is QCJNKENQXCZWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-18(28)27-22-9-7-19(8-10-22)16-25-21-11-13-24(14-12-21,17-26-32(3,29)30)20-5-4-6-23(15-20)31-2/h4-10,15,21,25-26H,11-14,16-17H2,1-3H3,(H,27,28).
What are the key properties of N-[4-[[[4-(methanesulfonamidomethyl)-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]phenyl]acetamide?
N-[4-[[[4-(methanesulfonamidomethyl)-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]phenyl]acetamide has a molecular weight of 459.61 g/mol, XLogP of 3.17, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[4-(methanesulfonamidomethyl)-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 23161016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).