N-(3,4-dimethoxyphenyl)-2-[[6-oxo-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]butanamide

C20H27N3O4S2 — CID 136686291

IUPACN-(3,4-dimethoxyphenyl)-2-[[6-oxo-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]butanamide
SMILESCCC(Sc1nc(CSC(C)C)cc(=O)[nH]1)C(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H27N3O4S2/c1-6-17(19(25)21-13-7-8-15(26-4)16(9-13)27-5)29-20-22-14(10-18(24)23-20)11-28-12(2)3/h7-10,12,17H,6,11H2,1-5H3,(H,21,25)(H,22,23,24)
InChIKeyFSDBCFOYCYDNLR-UHFFFAOYSA-N
MW437.59 g/mol
LogP3.94
Rot. Bonds10

About N-(3,4-dimethoxyphenyl)-2-[[6-oxo-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]butanamide

N-(3,4-dimethoxyphenyl)-2-[[6-oxo-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]butanamide (PubChem CID 136686291) has the molecular formula C20H27N3O4S2 and a molecular weight of 437.59 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[[6-oxo-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]butanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[[6-oxo-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]butanamide
PubChem CID136686291
Molecular FormulaC20H27N3O4S2
Molecular Weight437.59 g/mol
Exact Mass437.14
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[[6-oxo-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]butanamide
SMILESCCC(Sc1nc(CSC(C)C)cc(=O)[nH]1)C(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H27N3O4S2/c1-6-17(19(25)21-13-7-8-15(26-4)16(9-13)27-5)29-20-22-14(10-18(24)23-20)11-28-12(2)3/h7-10,12,17H,6,11H2,1-5H3,(H,21,25)(H,22,23,24)
InChIKeyFSDBCFOYCYDNLR-UHFFFAOYSA-N
XLogP3.94
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3,4-dimethoxyphenyl)-2-[[6-oxo-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethoxyphenyl)-2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 136684506
N-(3,4-dichlorophenyl)-2-[[4-(ethylsulfanylmethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]butanamide
CID 136686702
N-(4-methylphenyl)-2-[[6-oxo-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]propanamide
CID 136686307
N-(4-hydroxyphenyl)-2-[[6-oxo-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]propanamide
CID 136686300
N-(2,4-dimethoxyphenyl)-2-[[4-(ethylsulfanylmethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]butanamide
CID 136686699
2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)butanamide
CID 136685258
2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)butanamide
CID 136684561
N-(2,4-dimethoxyphenyl)-2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]butanamide
CID 136684434
N-(3-chlorophenyl)-2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]butanamide
CID 136684440
2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 136685167
N-(4-hydroxyphenyl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]butanamide
CID 136684758
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-2-ylbutanamide
CID 135765833

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[[6-oxo-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]butanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[[6-oxo-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]butanamide (CID 136686291) is N-(3,4-dimethoxyphenyl)-2-[[6-oxo-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]butanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[[6-oxo-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]butanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[[6-oxo-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]butanamide is CCC(Sc1nc(CSC(C)C)cc(=O)[nH]1)C(=O)Nc1ccc(OC)c(OC)c1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[[6-oxo-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]butanamide?
The InChIKey is FSDBCFOYCYDNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S2/c1-6-17(19(25)21-13-7-8-15(26-4)16(9-13)27-5)29-20-22-14(10-18(24)23-20)11-28-12(2)3/h7-10,12,17H,6,11H2,1-5H3,(H,21,25)(H,22,23,24).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[[6-oxo-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]butanamide?
N-(3,4-dimethoxyphenyl)-2-[[6-oxo-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]butanamide has a molecular weight of 437.59 g/mol, XLogP of 3.94, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[[6-oxo-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]butanamide is sourced from PubChem (CID 136686291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).