methylsulfinylmethane;2-N,5-N,3,4-tetraphenyl-1H-pyrrole-2,5-dicarboxamide

C32H29N3O3S — CID 139044972

IUPACmethylsulfinylmethane;2-N,5-N,3,4-tetraphenyl-1H-pyrrole-2,5-dicarboxamide
SMILESCS(C)=O.O=C(Nc1ccccc1)c1[nH]c(C(=O)Nc2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H23N3O2.C2H6OS/c34-29(31-23-17-9-3-10-18-23)27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(33-27)30(35)32-24-19-11-4-12-20-24;1-4(2)3/h1-20,33H,(H,31,34)(H,32,35);1-2H3
InChIKeyVXHPQIBWRUJBMU-UHFFFAOYSA-N
MW535.67 g/mol
LogP6.85
Rot. Bonds6

About methylsulfinylmethane;2-N,5-N,3,4-tetraphenyl-1H-pyrrole-2,5-dicarboxamide

methylsulfinylmethane;2-N,5-N,3,4-tetraphenyl-1H-pyrrole-2,5-dicarboxamide (PubChem CID 139044972) has the molecular formula C32H29N3O3S and a molecular weight of 535.67 g/mol. Its IUPAC name is methylsulfinylmethane;2-N,5-N,3,4-tetraphenyl-1H-pyrrole-2,5-dicarboxamide.

Molecular Properties

Compound Namemethylsulfinylmethane;2-N,5-N,3,4-tetraphenyl-1H-pyrrole-2,5-dicarboxamide
PubChem CID139044972
Molecular FormulaC32H29N3O3S
Molecular Weight535.67 g/mol
Exact Mass535.19
IUPAC Namemethylsulfinylmethane;2-N,5-N,3,4-tetraphenyl-1H-pyrrole-2,5-dicarboxamide
SMILESCS(C)=O.O=C(Nc1ccccc1)c1[nH]c(C(=O)Nc2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H23N3O2.C2H6OS/c34-29(31-23-17-9-3-10-18-23)27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(33-27)30(35)32-24-19-11-4-12-20-24;1-4(2)3/h1-20,33H,(H,31,34)(H,32,35);1-2H3
InChIKeyVXHPQIBWRUJBMU-UHFFFAOYSA-N
XLogP6.85
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.67
LogP ≤ 56.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N,3-diphenyl-1H-indole-2-carboxamide
CID 69244689
5-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenyl-1H-indole-2-carboxamide
CID 131932809
N-phenyl-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 67754049
2,3,4,5,6-pentamethyl-N-phenylbenzamide
CID 60629319
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
5-tert-butyl-N-phenyl-1H-pyrrole-2-carboxamide
CID 126493143
5-(2-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide
CID 67810606
cobalt;N-phenylacetamide
CID 158689050
4-oxo-N,2,5,6-tetraphenylpyran-3-carboxamide
CID 164685853
5-methyl-N-phenyl-1H-imidazole-2-carboxamide
CID 126500296
molecular hydrogen;N-phenylbenzamide
CID 145238042
N-(4-phenylphenyl)acetamide
CID 19998

Frequently Asked Questions

What is the IUPAC name of methylsulfinylmethane;2-N,5-N,3,4-tetraphenyl-1H-pyrrole-2,5-dicarboxamide?
The IUPAC name of methylsulfinylmethane;2-N,5-N,3,4-tetraphenyl-1H-pyrrole-2,5-dicarboxamide (CID 139044972) is methylsulfinylmethane;2-N,5-N,3,4-tetraphenyl-1H-pyrrole-2,5-dicarboxamide.
What is the SMILES notation for methylsulfinylmethane;2-N,5-N,3,4-tetraphenyl-1H-pyrrole-2,5-dicarboxamide?
The canonical SMILES for methylsulfinylmethane;2-N,5-N,3,4-tetraphenyl-1H-pyrrole-2,5-dicarboxamide is CS(C)=O.O=C(Nc1ccccc1)c1[nH]c(C(=O)Nc2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of methylsulfinylmethane;2-N,5-N,3,4-tetraphenyl-1H-pyrrole-2,5-dicarboxamide?
The InChIKey is VXHPQIBWRUJBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3O2.C2H6OS/c34-29(31-23-17-9-3-10-18-23)27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(33-27)30(35)32-24-19-11-4-12-20-24;1-4(2)3/h1-20,33H,(H,31,34)(H,32,35);1-2H3.
What are the key properties of methylsulfinylmethane;2-N,5-N,3,4-tetraphenyl-1H-pyrrole-2,5-dicarboxamide?
methylsulfinylmethane;2-N,5-N,3,4-tetraphenyl-1H-pyrrole-2,5-dicarboxamide has a molecular weight of 535.67 g/mol, XLogP of 6.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfinylmethane;2-N,5-N,3,4-tetraphenyl-1H-pyrrole-2,5-dicarboxamide is sourced from PubChem (CID 139044972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).