N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide

C20H21N3O2S — CID 136685002

IUPACN-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESCCCc1cc(=O)[nH]c(SC(C)C(=O)Nc2cccc3ccccc23)n1
InChIInChI=1S/C20H21N3O2S/c1-3-7-15-12-18(24)23-20(21-15)26-13(2)19(25)22-17-11-6-9-14-8-4-5-10-16(14)17/h4-6,8-13H,3,7H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyBTLMFVXWXARHAY-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.99
Rot. Bonds6

About N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide

N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide (PubChem CID 136685002) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
PubChem CID136685002
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESCCCc1cc(=O)[nH]c(SC(C)C(=O)Nc2cccc3ccccc23)n1
InChIInChI=1S/C20H21N3O2S/c1-3-7-15-12-18(24)23-20(21-15)26-13(2)19(25)22-17-11-6-9-14-8-4-5-10-16(14)17/h4-6,8-13H,3,7H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyBTLMFVXWXARHAY-UHFFFAOYSA-N
XLogP3.99
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 135853442
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 135459282
(2S)-N-(3-methylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135763464
(2S)-N-(3-chlorophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135763419
N-(5-methyl-1,2-oxazol-3-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 137262476
(2R)-N-(benzylcarbamoyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135901443
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135552291
(2S)-N-carbamoyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135720220
ethyl 3-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate
CID 136684956
(2S)-N-cyclopropyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135720241
2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,5-dichlorophenyl)propanamide
CID 136685166
2-[[4-(ethylsulfanylmethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 136686612

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The IUPAC name of N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide (CID 136685002) is N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide is CCCc1cc(=O)[nH]c(SC(C)C(=O)Nc2cccc3ccccc23)n1.
What is the InChIKey of N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The InChIKey is BTLMFVXWXARHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-3-7-15-12-18(24)23-20(21-15)26-13(2)19(25)22-17-11-6-9-14-8-4-5-10-16(14)17/h4-6,8-13H,3,7H2,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide?
N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide has a molecular weight of 367.47 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 136685002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).