N-cyclopropyl-3-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]benzamide

C19H20N2O3S — CID 167785074

IUPACN-cyclopropyl-3-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]benzamide
SMILESO=C(NC1CC1)c1cccc(NC2CCS(=O)(=O)c3ccccc32)c1
InChIInChI=1S/C19H20N2O3S/c22-19(21-14-8-9-14)13-4-3-5-15(12-13)20-17-10-11-25(23,24)18-7-2-1-6-16(17)18/h1-7,12,14,17,20H,8-11H2,(H,21,22)
InChIKeyICSGHPFIZDRFMB-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.91
Rot. Bonds4

About N-cyclopropyl-3-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]benzamide

N-cyclopropyl-3-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]benzamide (PubChem CID 167785074) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-cyclopropyl-3-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]benzamide
PubChem CID167785074
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-cyclopropyl-3-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]benzamide
SMILESO=C(NC1CC1)c1cccc(NC2CCS(=O)(=O)c3ccccc32)c1
InChIInChI=1S/C19H20N2O3S/c22-19(21-14-8-9-14)13-4-3-5-15(12-13)20-17-10-11-25(23,24)18-7-2-1-6-16(17)18/h1-7,12,14,17,20H,8-11H2,(H,21,22)
InChIKeyICSGHPFIZDRFMB-UHFFFAOYSA-N
XLogP2.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-3H-benzimidazole-5-carboxamide
CID 47017686
1,1-dioxo-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 66351028
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
N-[(4S)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-2,2-dimethylpropanamide
CID 29289858
N-cyclopropyl-3-[[2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]acetyl]amino]benzamide
CID 135401608
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide
CID 78969031
methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate
CID 109050811
3-(benzenesulfonamido)-N-cyclopropylbenzamide
CID 17465618
N-cyclopentyl-3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]benzamide
CID 39335172
N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 95383304
3-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389328

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]benzamide (CID 167785074) is N-cyclopropyl-3-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]benzamide is O=C(NC1CC1)c1cccc(NC2CCS(=O)(=O)c3ccccc32)c1.
What is the InChIKey of N-cyclopropyl-3-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]benzamide?
The InChIKey is ICSGHPFIZDRFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c22-19(21-14-8-9-14)13-4-3-5-15(12-13)20-17-10-11-25(23,24)18-7-2-1-6-16(17)18/h1-7,12,14,17,20H,8-11H2,(H,21,22).
What are the key properties of N-cyclopropyl-3-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]benzamide?
N-cyclopropyl-3-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]benzamide has a molecular weight of 356.45 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]benzamide is sourced from PubChem (CID 167785074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).