N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

C18H25N3O4S — CID 30417511

IUPACN-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)N[C@]2(C)CCS(=O)(=O)C2)c2ccccc21
InChIInChI=1S/C18H25N3O4S/c1-3-10-20-14-6-4-5-7-15(14)21(17(20)23)11-8-16(22)19-18(2)9-12-26(24,25)13-18/h4-7H,3,8-13H2,1-2H3,(H,19,22)/t18-/m1/s1
InChIKeyFDGCLXDLYGMMAX-GOSISDBHSA-N
MW379.48 g/mol
LogP1.30
Rot. Bonds6

About N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (PubChem CID 30417511) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
PubChem CID30417511
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)N[C@]2(C)CCS(=O)(=O)C2)c2ccccc21
InChIInChI=1S/C18H25N3O4S/c1-3-10-20-14-6-4-5-7-15(14)21(17(20)23)11-8-16(22)19-18(2)9-12-26(24,25)13-18/h4-7H,3,8-13H2,1-2H3,(H,19,22)/t18-/m1/s1
InChIKeyFDGCLXDLYGMMAX-GOSISDBHSA-N
XLogP1.30
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-cyanocyclopentyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 86913699
N-[(1-hydroxycyclopentyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 111331415
N-(3-methyl-1,1-dioxothiolan-3-yl)-4-oxo-4-phenylbutanamide
CID 78789298
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329623
3-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 43697281
N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 33154220
2-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16516850
N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide
CID 27019386
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]butanamide
CID 8571367
1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502
4-(4-ethoxyphenoxy)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]butanamide
CID 8849501
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-quinolin-2-ylpropanamide
CID 55450942

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (CID 30417511) is N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is CCCn1c(=O)n(CCC(=O)N[C@]2(C)CCS(=O)(=O)C2)c2ccccc21.
What is the InChIKey of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The InChIKey is FDGCLXDLYGMMAX-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-3-10-20-14-6-4-5-7-15(14)21(17(20)23)11-8-16(22)19-18(2)9-12-26(24,25)13-18/h4-7H,3,8-13H2,1-2H3,(H,19,22)/t18-/m1/s1.
What are the key properties of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide has a molecular weight of 379.48 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 30417511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).