N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-(cyclopropylamino)acetamide

C18H27N3O4S — CID 22406117

IUPACN-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-(cyclopropylamino)acetamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)CNC2CC2)ccc1OC1CCCCC1
InChIInChI=1S/C18H27N3O4S/c1-26(23,24)21-16-11-14(20-18(22)12-19-13-7-8-13)9-10-17(16)25-15-5-3-2-4-6-15/h9-11,13,15,19,21H,2-8,12H2,1H3,(H,20,22)
InChIKeyZCCYFCHHPFHMIA-UHFFFAOYSA-N
MW381.50 g/mol
LogP2.46
Rot. Bonds8

About N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-(cyclopropylamino)acetamide

N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-(cyclopropylamino)acetamide (PubChem CID 22406117) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-(cyclopropylamino)acetamide.

Molecular Properties

Compound NameN-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-(cyclopropylamino)acetamide
PubChem CID22406117
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-(cyclopropylamino)acetamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)CNC2CC2)ccc1OC1CCCCC1
InChIInChI=1S/C18H27N3O4S/c1-26(23,24)21-16-11-14(20-18(22)12-19-13-7-8-13)9-10-17(16)25-15-5-3-2-4-6-15/h9-11,13,15,19,21H,2-8,12H2,1H3,(H,20,22)
InChIKeyZCCYFCHHPFHMIA-UHFFFAOYSA-N
XLogP2.46
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-oxobutanamide
CID 139613409
2-(cyclopropylamino)-N-[3-(methanesulfonamido)phenyl]acetamide
CID 61274882
N-(3-acetamido-4-methylphenyl)-2-(cyclopentylamino)acetamide
CID 60851393
2-(cyclopropylamino)-N-[2-(methanesulfonamido)phenyl]acetamide
CID 54924233
2-(cyclopropylamino)-N-(4-methoxy-3-methylphenyl)acetamide
CID 54964531
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 31873271
2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 4790618
N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide
CID 108993617
N-(3-bromo-4-cyclohexyloxyphenyl)methanesulfonamide
CID 139341514
2-(cyclopropylamino)-N-[4-(ethylsulfonylamino)phenyl]acetamide
CID 60945147
2-(cyclooctylamino)-N-(3,4-difluorophenyl)acetamide
CID 9265327
4-[[2-(cyclohexylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 1442013

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-(cyclopropylamino)acetamide?
The IUPAC name of N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-(cyclopropylamino)acetamide (CID 22406117) is N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-(cyclopropylamino)acetamide.
What is the SMILES notation for N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-(cyclopropylamino)acetamide?
The canonical SMILES for N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-(cyclopropylamino)acetamide is CS(=O)(=O)Nc1cc(NC(=O)CNC2CC2)ccc1OC1CCCCC1.
What is the InChIKey of N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-(cyclopropylamino)acetamide?
The InChIKey is ZCCYFCHHPFHMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-26(23,24)21-16-11-14(20-18(22)12-19-13-7-8-13)9-10-17(16)25-15-5-3-2-4-6-15/h9-11,13,15,19,21H,2-8,12H2,1H3,(H,20,22).
What are the key properties of N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-(cyclopropylamino)acetamide?
N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-(cyclopropylamino)acetamide has a molecular weight of 381.50 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-(cyclopropylamino)acetamide is sourced from PubChem (CID 22406117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).