N-[4-[[3-(cyanomethoxy)anilino]methyl]cyclohexyl]butane-2-sulfonamide

C19H29N3O3S — CID 70938968

IUPACN-[4-[[3-(cyanomethoxy)anilino]methyl]cyclohexyl]butane-2-sulfonamide
SMILESCCC(C)S(=O)(=O)NC1CCC(CNc2cccc(OCC#N)c2)CC1
InChIInChI=1S/C19H29N3O3S/c1-3-15(2)26(23,24)22-17-9-7-16(8-10-17)14-21-18-5-4-6-19(13-18)25-12-11-20/h4-6,13,15-17,21-22H,3,7-10,12,14H2,1-2H3
InChIKeyYKQDULKDDSIBMW-UHFFFAOYSA-N
MW379.53 g/mol
LogP3.28
Rot. Bonds9

About N-[4-[[3-(cyanomethoxy)anilino]methyl]cyclohexyl]butane-2-sulfonamide

N-[4-[[3-(cyanomethoxy)anilino]methyl]cyclohexyl]butane-2-sulfonamide (PubChem CID 70938968) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[4-[[3-(cyanomethoxy)anilino]methyl]cyclohexyl]butane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[3-(cyanomethoxy)anilino]methyl]cyclohexyl]butane-2-sulfonamide
PubChem CID70938968
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-[4-[[3-(cyanomethoxy)anilino]methyl]cyclohexyl]butane-2-sulfonamide
SMILESCCC(C)S(=O)(=O)NC1CCC(CNc2cccc(OCC#N)c2)CC1
InChIInChI=1S/C19H29N3O3S/c1-3-15(2)26(23,24)22-17-9-7-16(8-10-17)14-21-18-5-4-6-19(13-18)25-12-11-20/h4-6,13,15-17,21-22H,3,7-10,12,14H2,1-2H3
InChIKeyYKQDULKDDSIBMW-UHFFFAOYSA-N
XLogP3.28
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[3-(cyanomethoxy)anilino]methyl]cyclohexyl]butane-2-sulfonamide 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

N-[4-[(4-butoxyanilino)methyl]cyclohexyl]butane-2-sulfonamide
CID 70939474
2-[3-[(4-ethylcyclohexyl)amino]phenoxy]acetonitrile
CID 43721135
N-[4-[[3-(1,1,2,2-tetrafluoroethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 118376558
2-[3-(oxolan-3-ylmethylamino)phenoxy]acetonitrile
CID 43721253
N-[3-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]phenyl]acetamide
CID 70938922
2-[3-[(4-ethylcycloheptyl)amino]phenoxy]acetonitrile
CID 65084149
2-[3-(thian-3-ylmethylamino)phenoxy]acetonitrile
CID 114282790
2-[3-(piperidin-3-ylmethylamino)phenoxy]acetonitrile
CID 80554089
N-[4-[[3-(cyclopropylmethoxy)-4-methylanilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 59230354
2-[3-(1-methylsulfonylpropan-2-ylamino)phenoxy]acetonitrile
CID 64628725
N-[3-(cyanomethoxy)phenyl]-1-cyclohexylmethanesulfonamide
CID 61453579
4-(butan-2-ylsulfonylamino)-N-[(3-ethoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 20629842

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(cyanomethoxy)anilino]methyl]cyclohexyl]butane-2-sulfonamide?
The IUPAC name of N-[4-[[3-(cyanomethoxy)anilino]methyl]cyclohexyl]butane-2-sulfonamide (CID 70938968) is N-[4-[[3-(cyanomethoxy)anilino]methyl]cyclohexyl]butane-2-sulfonamide.
What is the SMILES notation for N-[4-[[3-(cyanomethoxy)anilino]methyl]cyclohexyl]butane-2-sulfonamide?
The canonical SMILES for N-[4-[[3-(cyanomethoxy)anilino]methyl]cyclohexyl]butane-2-sulfonamide is CCC(C)S(=O)(=O)NC1CCC(CNc2cccc(OCC#N)c2)CC1.
What is the InChIKey of N-[4-[[3-(cyanomethoxy)anilino]methyl]cyclohexyl]butane-2-sulfonamide?
The InChIKey is YKQDULKDDSIBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-3-15(2)26(23,24)22-17-9-7-16(8-10-17)14-21-18-5-4-6-19(13-18)25-12-11-20/h4-6,13,15-17,21-22H,3,7-10,12,14H2,1-2H3.
What are the key properties of N-[4-[[3-(cyanomethoxy)anilino]methyl]cyclohexyl]butane-2-sulfonamide?
N-[4-[[3-(cyanomethoxy)anilino]methyl]cyclohexyl]butane-2-sulfonamide has a molecular weight of 379.53 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(cyanomethoxy)anilino]methyl]cyclohexyl]butane-2-sulfonamide is sourced from PubChem (CID 70938968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).