N-(2-amino-1-cyclopropylethyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide

C14H19Cl2N3O3S — CID 119616695

IUPACN-(2-amino-1-cyclopropylethyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide
SMILESNCC(NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C14H19Cl2N3O3S/c15-10-2-1-3-11(16)14(10)23(21,22)18-7-6-13(20)19-12(8-17)9-4-5-9/h1-3,9,12,18H,4-8,17H2,(H,19,20)
InChIKeyRZLGEVAWAHZWMS-UHFFFAOYSA-N
MW380.30 g/mol
LogP1.52
Rot. Bonds8

About N-(2-amino-1-cyclopropylethyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide

N-(2-amino-1-cyclopropylethyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide (PubChem CID 119616695) has the molecular formula C14H19Cl2N3O3S and a molecular weight of 380.30 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide
PubChem CID119616695
Molecular FormulaC14H19Cl2N3O3S
Molecular Weight380.30 g/mol
Exact Mass379.05
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide
SMILESNCC(NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C14H19Cl2N3O3S/c15-10-2-1-3-11(16)14(10)23(21,22)18-7-6-13(20)19-12(8-17)9-4-5-9/h1-3,9,12,18H,4-8,17H2,(H,19,20)
InChIKeyRZLGEVAWAHZWMS-UHFFFAOYSA-N
XLogP1.52
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid
CID 697936
N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenoxy)butanamide
CID 119617753
N-(2-amino-1-cyclopropylethyl)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide
CID 119616424
N-(3-aminobutyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide
CID 119498614
N-[1-(aminomethyl)cyclopentyl]-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119567663
N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374
4-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119352507
N-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide
CID 65189008
N-(2-amino-1-cyclopropylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 119613531
N-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride
CID 120583800
N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide
CID 106737809
N-(2-amino-1-cyclopropylethyl)-1-(2,6-dichlorophenyl)methanesulfonamide
CID 119986929

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide (CID 119616695) is N-(2-amino-1-cyclopropylethyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide is NCC(NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide?
The InChIKey is RZLGEVAWAHZWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O3S/c15-10-2-1-3-11(16)14(10)23(21,22)18-7-6-13(20)19-12(8-17)9-4-5-9/h1-3,9,12,18H,4-8,17H2,(H,19,20).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide?
N-(2-amino-1-cyclopropylethyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide has a molecular weight of 380.30 g/mol, XLogP of 1.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 119616695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).