N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide

C17H21N3O3S — CID 41078944

IUPACN-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
SMILESCC1(C)NC(=O)N(CCC(=O)N[C@@H]2CCSc3ccccc32)C1=O
InChIInChI=1S/C17H21N3O3S/c1-17(2)15(22)20(16(23)19-17)9-7-14(21)18-12-8-10-24-13-6-4-3-5-11(12)13/h3-6,12H,7-10H2,1-2H3,(H,18,21)(H,19,23)/t12-/m1/s1
InChIKeyFQHDRLMYWLIPPM-GFCCVEGCSA-N
MW347.44 g/mol
LogP2.06
Rot. Bonds4

About N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide

N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide (PubChem CID 41078944) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
PubChem CID41078944
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
SMILESCC1(C)NC(=O)N(CCC(=O)N[C@@H]2CCSc3ccccc32)C1=O
InChIInChI=1S/C17H21N3O3S/c1-17(2)15(22)20(16(23)19-17)9-7-14(21)18-12-8-10-24-13-6-4-3-5-11(12)13/h3-6,12H,7-10H2,1-2H3,(H,18,21)(H,19,23)/t12-/m1/s1
InChIKeyFQHDRLMYWLIPPM-GFCCVEGCSA-N
XLogP2.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(propan-2-ylamino)propanamide
CID 60854166
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41079124
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41079125
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]propanamide
CID 46955875
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 41144802
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 124731794
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxycyclohexyl)propanamide
CID 62367006
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 51088766
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)acetamide
CID 8933642
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylcyclopentyl)propanamide
CID 114549974
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 39017810
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CID 25442457

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The IUPAC name of N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide (CID 41078944) is N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide.
What is the SMILES notation for N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The canonical SMILES for N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide is CC1(C)NC(=O)N(CCC(=O)N[C@@H]2CCSc3ccccc32)C1=O.
What is the InChIKey of N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The InChIKey is FQHDRLMYWLIPPM-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-17(2)15(22)20(16(23)19-17)9-7-14(21)18-12-8-10-24-13-6-4-3-5-11(12)13/h3-6,12H,7-10H2,1-2H3,(H,18,21)(H,19,23)/t12-/m1/s1.
What are the key properties of N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide has a molecular weight of 347.44 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide is sourced from PubChem (CID 41078944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).