N-cyclopentyl-1,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide

C18H23N3O3S — CID 72851750

IUPACN-cyclopentyl-1,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide
SMILESCc1ccc(CN(C(=O)c2cc(=O)n(C)c(=O)n2C)C2CCCC2)s1
InChIInChI=1S/C18H23N3O3S/c1-12-8-9-14(25-12)11-21(13-6-4-5-7-13)17(23)15-10-16(22)20(3)18(24)19(15)2/h8-10,13H,4-7,11H2,1-3H3
InChIKeyJPCFPSCPBZDODZ-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.04
Rot. Bonds4

About N-cyclopentyl-1,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide

N-cyclopentyl-1,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide (PubChem CID 72851750) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-cyclopentyl-1,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide
PubChem CID72851750
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-cyclopentyl-1,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide
SMILESCc1ccc(CN(C(=O)c2cc(=O)n(C)c(=O)n2C)C2CCCC2)s1
InChIInChI=1S/C18H23N3O3S/c1-12-8-9-14(25-12)11-21(13-6-4-5-7-13)17(23)15-10-16(22)20(3)18(24)19(15)2/h8-10,13H,4-7,11H2,1-3H3
InChIKeyJPCFPSCPBZDODZ-UHFFFAOYSA-N
XLogP2.04
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide (CID 72851750) is N-cyclopentyl-1,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide is Cc1ccc(CN(C(=O)c2cc(=O)n(C)c(=O)n2C)C2CCCC2)s1.
What is the InChIKey of N-cyclopentyl-1,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide?
The InChIKey is JPCFPSCPBZDODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-12-8-9-14(25-12)11-21(13-6-4-5-7-13)17(23)15-10-16(22)20(3)18(24)19(15)2/h8-10,13H,4-7,11H2,1-3H3.
What are the key properties of N-cyclopentyl-1,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide?
N-cyclopentyl-1,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide is sourced from PubChem (CID 72851750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).