2-[cyclohexyl(methylsulfonyl)amino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide

C21H32N4O4S — CID 99967374

IUPAC2-[cyclohexyl(methylsulfonyl)amino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)CN(C3CCCCC3)S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C21H32N4O4S/c1-23-12-14-24(15-13-23)21(27)17-8-10-18(11-9-17)22-20(26)16-25(30(2,28)29)19-6-4-3-5-7-19/h8-11,19H,3-7,12-16H2,1-2H3,(H,22,26)
InChIKeyIXAQSWJZIGQBOG-UHFFFAOYSA-N
MW436.58 g/mol
LogP1.61
Rot. Bonds6

About 2-[cyclohexyl(methylsulfonyl)amino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide

2-[cyclohexyl(methylsulfonyl)amino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide (PubChem CID 99967374) has the molecular formula C21H32N4O4S and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-[cyclohexyl(methylsulfonyl)amino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methylsulfonyl)amino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
PubChem CID99967374
Molecular FormulaC21H32N4O4S
Molecular Weight436.58 g/mol
Exact Mass436.21
IUPAC Name2-[cyclohexyl(methylsulfonyl)amino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)CN(C3CCCCC3)S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C21H32N4O4S/c1-23-12-14-24(15-13-23)21(27)17-8-10-18(11-9-17)22-20(26)16-25(30(2,28)29)19-6-4-3-5-7-19/h8-11,19H,3-7,12-16H2,1-2H3,(H,22,26)
InChIKeyIXAQSWJZIGQBOG-UHFFFAOYSA-N
XLogP1.61
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
CID 113153101
methyl 4-[[2-[cyclopentyl(methylsulfonyl)amino]acetyl]amino]benzoate
CID 113148971
2-[cyclohexyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 2111492
2-[cyclohexyl(methyl)amino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54817465
2-[cyclopentyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 113148937
2-[benzyl(methylsulfonyl)amino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 99967333
N-cycloheptyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113153043
N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide
CID 54843928
2-[cyclopentyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113148921
2-[cycloheptyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113153161
N-(4-acetylphenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137489
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 99967182

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide (CID 99967374) is 2-[cyclohexyl(methylsulfonyl)amino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[cyclohexyl(methylsulfonyl)amino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[cyclohexyl(methylsulfonyl)amino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide is CN1CCN(C(=O)c2ccc(NC(=O)CN(C3CCCCC3)S(C)(=O)=O)cc2)CC1.
What is the InChIKey of 2-[cyclohexyl(methylsulfonyl)amino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The InChIKey is IXAQSWJZIGQBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O4S/c1-23-12-14-24(15-13-23)21(27)17-8-10-18(11-9-17)22-20(26)16-25(30(2,28)29)19-6-4-3-5-7-19/h8-11,19H,3-7,12-16H2,1-2H3,(H,22,26).
What are the key properties of 2-[cyclohexyl(methylsulfonyl)amino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
2-[cyclohexyl(methylsulfonyl)amino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide has a molecular weight of 436.58 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methylsulfonyl)amino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 99967374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).