[4-[[naphthalen-2-ylsulfonyl(propyl)amino]methyl]cyclohexyl]methylcarbamic acid

C22H30N2O4S — CID 69025832

IUPAC[4-[[naphthalen-2-ylsulfonyl(propyl)amino]methyl]cyclohexyl]methylcarbamic acid
SMILESCCCN(CC1CCC(CNC(=O)O)CC1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H30N2O4S/c1-2-13-24(16-18-9-7-17(8-10-18)15-23-22(25)26)29(27,28)21-12-11-19-5-3-4-6-20(19)14-21/h3-6,11-12,14,17-18,23H,2,7-10,13,15-16H2,1H3,(H,25,26)
InChIKeyYZBFXXRADXRHOK-UHFFFAOYSA-N
MW418.56 g/mol
LogP4.31
Rot. Bonds8

About [4-[[naphthalen-2-ylsulfonyl(propyl)amino]methyl]cyclohexyl]methylcarbamic acid

[4-[[naphthalen-2-ylsulfonyl(propyl)amino]methyl]cyclohexyl]methylcarbamic acid (PubChem CID 69025832) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is [4-[[naphthalen-2-ylsulfonyl(propyl)amino]methyl]cyclohexyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-[[naphthalen-2-ylsulfonyl(propyl)amino]methyl]cyclohexyl]methylcarbamic acid
PubChem CID69025832
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name[4-[[naphthalen-2-ylsulfonyl(propyl)amino]methyl]cyclohexyl]methylcarbamic acid
SMILESCCCN(CC1CCC(CNC(=O)O)CC1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H30N2O4S/c1-2-13-24(16-18-9-7-17(8-10-18)15-23-22(25)26)29(27,28)21-12-11-19-5-3-4-6-20(19)14-21/h3-6,11-12,14,17-18,23H,2,7-10,13,15-16H2,1H3,(H,25,26)
InChIKeyYZBFXXRADXRHOK-UHFFFAOYSA-N
XLogP4.31
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide
CID 23996210
3-[2-[2-carboxyethyl(naphthalen-2-ylsulfonyl)amino]ethyl-naphthalen-2-ylsulfonylamino]propanoic acid
CID 151966350
4-[cyclopropylmethyl(naphthalen-2-ylsulfonyl)amino]butyl-[(3,5-dimethylphenyl)methyl]-diethylazanium bromide
CID 159514290
N-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide
CID 55353366
ethyl 3-[cyclopropylmethyl-(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 52763653
N-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide
CID 3449691
3-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 115328827
N-(cyclopropylmethyl)-3-(1-hydroxypropyl)-N-propylbenzenesulfonamide
CID 61444156
1-(cyclopropylmethyl)-3-naphthalen-2-yl-1-propylurea
CID 3853598
N-ethyl-N-(3-hydroxypropyl)naphthalene-2-sulfonamide
CID 115755343
ethyl 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylate
CID 155295839
N-(cyclopropylmethyl)-4-pentan-3-yl-N-propylbenzenesulfonamide
CID 146213720

Frequently Asked Questions

What is the IUPAC name of [4-[[naphthalen-2-ylsulfonyl(propyl)amino]methyl]cyclohexyl]methylcarbamic acid?
The IUPAC name of [4-[[naphthalen-2-ylsulfonyl(propyl)amino]methyl]cyclohexyl]methylcarbamic acid (CID 69025832) is [4-[[naphthalen-2-ylsulfonyl(propyl)amino]methyl]cyclohexyl]methylcarbamic acid.
What is the SMILES notation for [4-[[naphthalen-2-ylsulfonyl(propyl)amino]methyl]cyclohexyl]methylcarbamic acid?
The canonical SMILES for [4-[[naphthalen-2-ylsulfonyl(propyl)amino]methyl]cyclohexyl]methylcarbamic acid is CCCN(CC1CCC(CNC(=O)O)CC1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of [4-[[naphthalen-2-ylsulfonyl(propyl)amino]methyl]cyclohexyl]methylcarbamic acid?
The InChIKey is YZBFXXRADXRHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-2-13-24(16-18-9-7-17(8-10-18)15-23-22(25)26)29(27,28)21-12-11-19-5-3-4-6-20(19)14-21/h3-6,11-12,14,17-18,23H,2,7-10,13,15-16H2,1H3,(H,25,26).
What are the key properties of [4-[[naphthalen-2-ylsulfonyl(propyl)amino]methyl]cyclohexyl]methylcarbamic acid?
[4-[[naphthalen-2-ylsulfonyl(propyl)amino]methyl]cyclohexyl]methylcarbamic acid has a molecular weight of 418.56 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[naphthalen-2-ylsulfonyl(propyl)amino]methyl]cyclohexyl]methylcarbamic acid is sourced from PubChem (CID 69025832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).