N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanylacetamide

C27H28N4O4S2 — CID 1155970

IUPACN-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanylacetamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(OC)cc23)cc1
InChIInChI=1S/C27H28N4O4S2/c1-4-18(2)31-37(33,34)22-13-10-20(11-14-22)28-25(32)17-36-27-23-16-21(35-3)12-15-24(23)29-26(30-27)19-8-6-5-7-9-19/h5-16,18,31H,4,17H2,1-3H3,(H,28,32)/t18-/m1/s1
InChIKeyCACCZKVRUXCRQV-GOSISDBHSA-N
MW536.68 g/mol
LogP5.11
Rot. Bonds10

About N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanylacetamide

N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanylacetamide (PubChem CID 1155970) has the molecular formula C27H28N4O4S2 and a molecular weight of 536.68 g/mol. Its IUPAC name is N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanylacetamide
PubChem CID1155970
Molecular FormulaC27H28N4O4S2
Molecular Weight536.68 g/mol
Exact Mass536.16
IUPAC NameN-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanylacetamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(OC)cc23)cc1
InChIInChI=1S/C27H28N4O4S2/c1-4-18(2)31-37(33,34)22-13-10-20(11-14-22)28-25(32)17-36-27-23-16-21(35-3)12-15-24(23)29-26(30-27)19-8-6-5-7-9-19/h5-16,18,31H,4,17H2,1-3H3,(H,28,32)/t18-/m1/s1
InChIKeyCACCZKVRUXCRQV-GOSISDBHSA-N
XLogP5.11
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanylacetamide with MolForge

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Related Compounds

2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 1164159
2-(8-ethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 994841
2-(2-phenylquinazolin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1155564
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 43853404
2-[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 46934535
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 17160189
N-(3-chloro-4-methylphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3136401
methyl 4-[[2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetyl]amino]benzoate
CID 1136300
N-(4-nitrophenyl)-2-(2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3134204
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 126201924
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
2-(1,3-dimethyl-2,4-dioxo-7-phenylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 40998171

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanylacetamide (CID 1155970) is N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanylacetamide is CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(OC)cc23)cc1.
What is the InChIKey of N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is CACCZKVRUXCRQV-GOSISDBHSA-N. The full InChI is InChI=1S/C27H28N4O4S2/c1-4-18(2)31-37(33,34)22-13-10-20(11-14-22)28-25(32)17-36-27-23-16-21(35-3)12-15-24(23)29-26(30-27)19-8-6-5-7-9-19/h5-16,18,31H,4,17H2,1-3H3,(H,28,32)/t18-/m1/s1.
What are the key properties of N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanylacetamide?
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 536.68 g/mol, XLogP of 5.11, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 1155970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).