N-(3-chlorophenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide

C18H13ClN4OS — CID 46395689

IUPACN-(3-chlorophenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide
SMILESO=C(CSc1ncnc2c1[nH]c1ccccc12)Nc1cccc(Cl)c1
InChIInChI=1S/C18H13ClN4OS/c19-11-4-3-5-12(8-11)22-15(24)9-25-18-17-16(20-10-21-18)13-6-1-2-7-14(13)23-17/h1-8,10,23H,9H2,(H,22,24)
InChIKeyRKRMHWSZXIEKOI-UHFFFAOYSA-N
MW368.85 g/mol
LogP4.50
Rot. Bonds4

About N-(3-chlorophenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide

N-(3-chlorophenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide (PubChem CID 46395689) has the molecular formula C18H13ClN4OS and a molecular weight of 368.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide
PubChem CID46395689
Molecular FormulaC18H13ClN4OS
Molecular Weight368.85 g/mol
Exact Mass368.05
IUPAC NameN-(3-chlorophenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide
SMILESO=C(CSc1ncnc2c1[nH]c1ccccc12)Nc1cccc(Cl)c1
InChIInChI=1S/C18H13ClN4OS/c19-11-4-3-5-12(8-11)22-15(24)9-25-18-17-16(20-10-21-18)13-6-1-2-7-14(13)23-17/h1-8,10,23H,9H2,(H,22,24)
InChIKeyRKRMHWSZXIEKOI-UHFFFAOYSA-N
XLogP4.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylsulfanylphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide
CID 46395698
N-(5-chloro-2-methoxyphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide
CID 46395708
N-(4-methoxyphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide
CID 46395684
N-(4-fluorophenyl)-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
CID 46395820
N-(3-chlorophenyl)-2-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide
CID 43955146
2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 3533533
2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 46395875
N-(2,3-dihydro-1H-inden-5-yl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
CID 46395806
N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922768
N-(3-methylphenyl)-2-[(7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide
CID 53011904
N-(2-ethylphenyl)-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
CID 46395816
N-(3-chlorophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 4973865

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide (CID 46395689) is N-(3-chlorophenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide is O=C(CSc1ncnc2c1[nH]c1ccccc12)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide?
The InChIKey is RKRMHWSZXIEKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4OS/c19-11-4-3-5-12(8-11)22-15(24)9-25-18-17-16(20-10-21-18)13-6-1-2-7-14(13)23-17/h1-8,10,23H,9H2,(H,22,24).
What are the key properties of N-(3-chlorophenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide?
N-(3-chlorophenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide has a molecular weight of 368.85 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide is sourced from PubChem (CID 46395689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).