3-[cyclopropylmethyl(methyl)amino]-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide

C18H24N2O3S — CID 167758737

IUPAC3-[cyclopropylmethyl(methyl)amino]-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide
SMILESCN(CCC(=O)N(c1ccccc1)C1C=CS(=O)(=O)C1)CC1CC1
InChIInChI=1S/C18H24N2O3S/c1-19(13-15-7-8-15)11-9-18(21)20(16-5-3-2-4-6-16)17-10-12-24(22,23)14-17/h2-6,10,12,15,17H,7-9,11,13-14H2,1H3
InChIKeyUUAOHNITTQVXRV-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.06
Rot. Bonds7

About 3-[cyclopropylmethyl(methyl)amino]-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide

3-[cyclopropylmethyl(methyl)amino]-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide (PubChem CID 167758737) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(methyl)amino]-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-[cyclopropylmethyl(methyl)amino]-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide
PubChem CID167758737
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name3-[cyclopropylmethyl(methyl)amino]-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide
SMILESCN(CCC(=O)N(c1ccccc1)C1C=CS(=O)(=O)C1)CC1CC1
InChIInChI=1S/C18H24N2O3S/c1-19(13-15-7-8-15)11-9-18(21)20(16-5-3-2-4-6-16)17-10-12-24(22,23)14-17/h2-6,10,12,15,17H,7-9,11,13-14H2,1H3
InChIKeyUUAOHNITTQVXRV-UHFFFAOYSA-N
XLogP2.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenylpentanamide
CID 40505612
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide
CID 6619989
ethyl N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylcarbamate
CID 102566492
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenylbenzamide
CID 1382277
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 7486953
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 40505774
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)-2-phenoxyacetamide
CID 2910351
[2-(N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]anilino)-2-oxoethyl] 3,5-dimethylbenzoate
CID 8535771
N-(4-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide
CID 40505385
[2-(N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]anilino)-2-oxoethyl] 4-ethylbenzoate
CID 8014856
2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenylacetamide
CID 8723512
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethoxyphenyl)benzamide
CID 2222051

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(methyl)amino]-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide?
The IUPAC name of 3-[cyclopropylmethyl(methyl)amino]-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide (CID 167758737) is 3-[cyclopropylmethyl(methyl)amino]-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide.
What is the SMILES notation for 3-[cyclopropylmethyl(methyl)amino]-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide?
The canonical SMILES for 3-[cyclopropylmethyl(methyl)amino]-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide is CN(CCC(=O)N(c1ccccc1)C1C=CS(=O)(=O)C1)CC1CC1.
What is the InChIKey of 3-[cyclopropylmethyl(methyl)amino]-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide?
The InChIKey is UUAOHNITTQVXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-19(13-15-7-8-15)11-9-18(21)20(16-5-3-2-4-6-16)17-10-12-24(22,23)14-17/h2-6,10,12,15,17H,7-9,11,13-14H2,1H3.
What are the key properties of 3-[cyclopropylmethyl(methyl)amino]-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide?
3-[cyclopropylmethyl(methyl)amino]-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide has a molecular weight of 348.47 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(methyl)amino]-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide is sourced from PubChem (CID 167758737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).