N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide

C17H16ClN3O3S — CID 47058183

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCCc1ccc(Cl)s1
InChIInChI=1S/C17H16ClN3O3S/c18-14-6-5-11(25-14)7-9-19-15(22)8-10-21-13-4-2-1-3-12(13)16(23)20-17(21)24/h1-6H,7-10H2,(H,19,22)(H,20,23,24)
InChIKeyFLABXAGRCGIUNQ-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.15
Rot. Bonds6

About N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide (PubChem CID 47058183) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
PubChem CID47058183
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCCc1ccc(Cl)s1
InChIInChI=1S/C17H16ClN3O3S/c18-14-6-5-11(25-14)7-9-19-15(22)8-10-21-13-4-2-1-3-12(13)16(23)20-17(21)24/h1-6H,7-10H2,(H,19,22)(H,20,23,24)
InChIKeyFLABXAGRCGIUNQ-UHFFFAOYSA-N
XLogP2.15
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide
CID 55847244
3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
3-(2,4-dioxoquinazolin-1-yl)-N-(4-phenoxybutyl)propanamide
CID 17414955
4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N,N-diethylbutanamide
CID 60513440
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 24544090
3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 26006226
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282
3-(2,4-dioxoquinazolin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 56551373
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 60515754
N-benzhydryl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 18104755
3-(2,4-dioxoquinazolin-1-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119512038
N-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 17464541

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide (CID 47058183) is N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide is O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The InChIKey is FLABXAGRCGIUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c18-14-6-5-11(25-14)7-9-19-15(22)8-10-21-13-4-2-1-3-12(13)16(23)20-17(21)24/h1-6H,7-10H2,(H,19,22)(H,20,23,24).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide has a molecular weight of 377.85 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide is sourced from PubChem (CID 47058183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).