N-(dicyclopropylmethyl)-2-(4-nitrophenyl)sulfanylpropanamide

C16H20N2O3S — CID 24620724

IUPACN-(dicyclopropylmethyl)-2-(4-nitrophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc([N+](=O)[O-])cc1)C(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C16H20N2O3S/c1-10(22-14-8-6-13(7-9-14)18(20)21)16(19)17-15(11-2-3-11)12-4-5-12/h6-12,15H,2-5H2,1H3,(H,17,19)
InChIKeyBKSSHQHAYPNVPC-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.38
Rot. Bonds7

About N-(dicyclopropylmethyl)-2-(4-nitrophenyl)sulfanylpropanamide

N-(dicyclopropylmethyl)-2-(4-nitrophenyl)sulfanylpropanamide (PubChem CID 24620724) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(4-nitrophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(4-nitrophenyl)sulfanylpropanamide
PubChem CID24620724
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-(dicyclopropylmethyl)-2-(4-nitrophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc([N+](=O)[O-])cc1)C(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C16H20N2O3S/c1-10(22-14-8-6-13(7-9-14)18(20)21)16(19)17-15(11-2-3-11)12-4-5-12/h6-12,15H,2-5H2,1H3,(H,17,19)
InChIKeyBKSSHQHAYPNVPC-UHFFFAOYSA-N
XLogP3.38
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(dicyclopropylmethyl)-2-(4-nitrophenyl)sulfanylpropanamide 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-[cyclopropyl(phenyl)methyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 55478338
N-(2-acetamidoethyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 46653051
2-(4-nitrophenyl)sulfanylpropanoyl chloride
CID 82041787
(2S)-2-(4-methylphenyl)sulfanyl-N-(4-nitrophenyl)propanamide
CID 7375379
N-[1-(4-methylphenyl)propyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 18189683
N-(2-methylpiperidin-3-yl)-2-(4-nitrophenyl)sulfanylpropanamide;hydrochloride
CID 120576059
(2S)-N-[2-(4-nitroanilino)ethyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 9308962
N-[4-(carbamoylamino)phenyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 46518680
1-[4-(methylamino)piperidin-1-yl]-2-(4-nitrophenyl)sulfanylpropan-1-one
CID 119560909
N-[1-(3-bromophenyl)ethyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 55576460
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate
CID 29328450
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-nitrophenyl)sulfanylpropan-1-one
CID 119517897

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(4-nitrophenyl)sulfanylpropanamide?
The IUPAC name of N-(dicyclopropylmethyl)-2-(4-nitrophenyl)sulfanylpropanamide (CID 24620724) is N-(dicyclopropylmethyl)-2-(4-nitrophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(4-nitrophenyl)sulfanylpropanamide?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(4-nitrophenyl)sulfanylpropanamide is CC(Sc1ccc([N+](=O)[O-])cc1)C(=O)NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(4-nitrophenyl)sulfanylpropanamide?
The InChIKey is BKSSHQHAYPNVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-10(22-14-8-6-13(7-9-14)18(20)21)16(19)17-15(11-2-3-11)12-4-5-12/h6-12,15H,2-5H2,1H3,(H,17,19).
What are the key properties of N-(dicyclopropylmethyl)-2-(4-nitrophenyl)sulfanylpropanamide?
N-(dicyclopropylmethyl)-2-(4-nitrophenyl)sulfanylpropanamide has a molecular weight of 320.41 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(4-nitrophenyl)sulfanylpropanamide is sourced from PubChem (CID 24620724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).