N-[3-[(1,1-dioxothiolan-3-yl)-methylamino]-3-oxopropyl]naphthalene-2-carboxamide

C19H22N2O4S — CID 134054053

IUPACN-[3-[(1,1-dioxothiolan-3-yl)-methylamino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCN(C(=O)CCNC(=O)c1ccc2ccccc2c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H22N2O4S/c1-21(17-9-11-26(24,25)13-17)18(22)8-10-20-19(23)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,17H,8-11,13H2,1H3,(H,20,23)
InChIKeyIEUUUGAXIWCZRM-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.61
Rot. Bonds5

About N-[3-[(1,1-dioxothiolan-3-yl)-methylamino]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[(1,1-dioxothiolan-3-yl)-methylamino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 134054053) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[3-[(1,1-dioxothiolan-3-yl)-methylamino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(1,1-dioxothiolan-3-yl)-methylamino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID134054053
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[3-[(1,1-dioxothiolan-3-yl)-methylamino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCN(C(=O)CCNC(=O)c1ccc2ccccc2c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H22N2O4S/c1-21(17-9-11-26(24,25)13-17)18(22)8-10-20-19(23)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,17H,8-11,13H2,1H3,(H,20,23)
InChIKeyIEUUUGAXIWCZRM-UHFFFAOYSA-N
XLogP1.61
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[(1,1-dioxothiolan-3-yl)-methylamino]-3-oxopropyl]naphthalene-2-carboxamide 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-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 51110428
N-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 78852133
3-(benzylcarbamoylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 24679487
N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 51238277
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylnaphthalene-2-carboxamide
CID 9245593
3-(4-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 109026665
N-(1,1-dioxothiolan-3-yl)-3-(2-ethoxyanilino)-N-methylpropanamide
CID 109026654
N-(1,1-dioxothiolan-3-yl)-3-(4-fluoroanilino)-N-methylpropanamide
CID 109026637
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
methyl 2-[[3-[(1,1-dioxothiolan-3-yl)-methylamino]-3-oxopropyl]amino]benzoate
CID 109026668
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885171
3-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 51003611

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1,1-dioxothiolan-3-yl)-methylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[(1,1-dioxothiolan-3-yl)-methylamino]-3-oxopropyl]naphthalene-2-carboxamide (CID 134054053) is N-[3-[(1,1-dioxothiolan-3-yl)-methylamino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[(1,1-dioxothiolan-3-yl)-methylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[(1,1-dioxothiolan-3-yl)-methylamino]-3-oxopropyl]naphthalene-2-carboxamide is CN(C(=O)CCNC(=O)c1ccc2ccccc2c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[3-[(1,1-dioxothiolan-3-yl)-methylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is IEUUUGAXIWCZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-21(17-9-11-26(24,25)13-17)18(22)8-10-20-19(23)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,17H,8-11,13H2,1H3,(H,20,23).
What are the key properties of N-[3-[(1,1-dioxothiolan-3-yl)-methylamino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[(1,1-dioxothiolan-3-yl)-methylamino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1,1-dioxothiolan-3-yl)-methylamino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 134054053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).