N-(1-amino-2-cyclopropylpropan-2-yl)-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide

C15H22N4O5S — CID 119573617

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
SMILESCN(CC(=O)NC(C)(CN)C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H22N4O5S/c1-15(10-16,11-6-7-11)17-14(20)9-18(2)25(23,24)13-5-3-4-12(8-13)19(21)22/h3-5,8,11H,6-7,9-10,16H2,1-2H3,(H,17,20)
InChIKeyZJCGRUSHNXAEKS-UHFFFAOYSA-N
MW370.43 g/mol
LogP0.46
Rot. Bonds8

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide (PubChem CID 119573617) has the molecular formula C15H22N4O5S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
PubChem CID119573617
Molecular FormulaC15H22N4O5S
Molecular Weight370.43 g/mol
Exact Mass370.13
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
SMILESCN(CC(=O)NC(C)(CN)C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H22N4O5S/c1-15(10-16,11-6-7-11)17-14(20)9-18(2)25(23,24)13-5-3-4-12(8-13)19(21)22/h3-5,8,11H,6-7,9-10,16H2,1-2H3,(H,17,20)
InChIKeyZJCGRUSHNXAEKS-UHFFFAOYSA-N
XLogP0.46
TPSA135.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-nitrophenyl)propanamide;hydrochloride
CID 119572628
N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methyl-3-nitrobenzenesulfonamide
CID 112788650
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511611
N-benzyl-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
CID 26217755
N-tert-butyl-2-[methyl-(4-nitrophenyl)sulfonylamino]acetamide
CID 9189054
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 26217725
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 26217769
N-methyl-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide
CID 119561320
N-methyl-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide;hydrochloride
CID 119561319
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 119574152
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-N-methyl-3-nitrobenzenesulfonamide
CID 119378879
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 26217762

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide (CID 119573617) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide is CN(CC(=O)NC(C)(CN)C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide?
The InChIKey is ZJCGRUSHNXAEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O5S/c1-15(10-16,11-6-7-11)17-14(20)9-18(2)25(23,24)13-5-3-4-12(8-13)19(21)22/h3-5,8,11H,6-7,9-10,16H2,1-2H3,(H,17,20).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide has a molecular weight of 370.43 g/mol, XLogP of 0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 119573617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).