N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride

C18H30ClN3O3S — CID 119573316

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)NC(C)(CN)C2CC2)c(C)c1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-12-9-13(2)17(14(3)10-12)25(23,24)20-8-7-16(22)21-18(4,11-19)15-5-6-15;/h9-10,15,20H,5-8,11,19H2,1-4H3,(H,21,22);1H
InChIKeyANFDANGYOXKLHK-UHFFFAOYSA-N
MW403.98 g/mol
LogP1.95
Rot. Bonds8

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride (PubChem CID 119573316) has the molecular formula C18H30ClN3O3S and a molecular weight of 403.98 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
PubChem CID119573316
Molecular FormulaC18H30ClN3O3S
Molecular Weight403.98 g/mol
Exact Mass403.17
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)NC(C)(CN)C2CC2)c(C)c1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-12-9-13(2)17(14(3)10-12)25(23,24)20-8-7-16(22)21-18(4,11-19)15-5-6-15;/h9-10,15,20H,5-8,11,19H2,1-4H3,(H,21,22);1H
InChIKeyANFDANGYOXKLHK-UHFFFAOYSA-N
XLogP1.95
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.98
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride with MolForge

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119522413
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 119575169
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide;hydrochloride
CID 119575166
N-(4-aminocyclohexyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 119475722
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 119574676
N-[1-(aminomethyl)cyclopentyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119565883
N-(piperidin-3-ylmethyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119461187
N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119573720
N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide;hydrochloride
CID 120710372
(2R)-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119370391
N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide
CID 119373971
N-(1-amino-2-cyclopropylpropan-2-yl)-5-(4-methylphenyl)pentanamide;hydrochloride
CID 119572987

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride (CID 119573316) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride is Cc1cc(C)c(S(=O)(=O)NCCC(=O)NC(C)(CN)C2CC2)c(C)c1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride?
The InChIKey is ANFDANGYOXKLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S.ClH/c1-12-9-13(2)17(14(3)10-12)25(23,24)20-8-7-16(22)21-18(4,11-19)15-5-6-15;/h9-10,15,20H,5-8,11,19H2,1-4H3,(H,21,22);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride has a molecular weight of 403.98 g/mol, XLogP of 1.95, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride is sourced from PubChem (CID 119573316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).