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

C19H22N2O4S — CID 55583174

IUPACN-[3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCC1(NC(=O)CCNC(=O)c2ccc3ccccc3c2)CCS(=O)(=O)C1
InChIInChI=1S/C19H22N2O4S/c1-19(9-11-26(24,25)13-19)21-17(22)8-10-20-18(23)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12H,8-11,13H2,1H3,(H,20,23)(H,21,22)
InChIKeyPLHNETCJSPKWSK-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.65
Rot. Bonds5

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

N-[3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 55583174) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID55583174
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCC1(NC(=O)CCNC(=O)c2ccc3ccccc3c2)CCS(=O)(=O)C1
InChIInChI=1S/C19H22N2O4S/c1-19(9-11-26(24,25)13-19)21-17(22)8-10-20-18(23)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12H,8-11,13H2,1H3,(H,20,23)(H,21,22)
InChIKeyPLHNETCJSPKWSK-UHFFFAOYSA-N
XLogP1.65
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
N-(3-methyl-1,1-dioxothiolan-3-yl)-4-oxo-4-phenylbutanamide
CID 78789298
3-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60718307
[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821291
3-[(2-fluorophenyl)sulfonylamino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]propanamide
CID 25481946
N-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 134037980
1-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-naphthalen-2-ylthiourea
CID 7100843
4-[3-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]benzoic acid
CID 125153020
4-(4-iodophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-oxobutanamide
CID 42905537
N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
2-[4-[3-(naphthalene-2-carbonylamino)propanoylamino]oxan-4-yl]acetic acid
CID 119214636
N-[3-[4-(methylcarbamoylamino)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55596125

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide (CID 55583174) is N-[3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide is CC1(NC(=O)CCNC(=O)c2ccc3ccccc3c2)CCS(=O)(=O)C1.
What is the InChIKey of N-[3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is PLHNETCJSPKWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-19(9-11-26(24,25)13-19)21-17(22)8-10-20-18(23)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12H,8-11,13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 55583174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).