propan-2-yl 2,4-dimethyl-5-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]-1H-pyrrole-3-carboxylate

C24H27N3O5S — CID 55439633

IUPACpropan-2-yl 2,4-dimethyl-5-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3[nH]c(C)c(C(=O)OC(C)C)c3C)cc2)cc1
InChIInChI=1S/C24H27N3O5S/c1-14(2)32-24(29)21-16(4)22(25-17(21)5)23(28)26-18-8-10-19(11-9-18)27-33(30,31)20-12-6-15(3)7-13-20/h6-14,25,27H,1-5H3,(H,26,28)
InChIKeyMWNJCJWIIBASSX-UHFFFAOYSA-N
MW469.56 g/mol
LogP4.56
Rot. Bonds7

About propan-2-yl 2,4-dimethyl-5-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]-1H-pyrrole-3-carboxylate

propan-2-yl 2,4-dimethyl-5-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]-1H-pyrrole-3-carboxylate (PubChem CID 55439633) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is propan-2-yl 2,4-dimethyl-5-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2,4-dimethyl-5-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
PubChem CID55439633
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC Namepropan-2-yl 2,4-dimethyl-5-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3[nH]c(C)c(C(=O)OC(C)C)c3C)cc2)cc1
InChIInChI=1S/C24H27N3O5S/c1-14(2)32-24(29)21-16(4)22(25-17(21)5)23(28)26-18-8-10-19(11-9-18)27-33(30,31)20-12-6-15(3)7-13-20/h6-14,25,27H,1-5H3,(H,26,28)
InChIKeyMWNJCJWIIBASSX-UHFFFAOYSA-N
XLogP4.56
TPSA117.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2,4-dimethyl-5-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 46533201
propan-2-yl 2,4-dimethyl-5-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 27702227
propan-2-yl 2,4-dimethyl-5-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 78791899
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
dipropan-2-yl 5-[(4-methylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773030
propan-2-yl 5-[(2-anilino-2-oxoethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55835250
propan-2-yl 5-[(5-acetamido-2-methoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 36554284
propan-2-yl 5-[(3-chloro-2-methylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 26720466
propan-2-yl 2,4-dimethyl-5-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 26787033
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide
CID 3628664
propan-2-yl 2,4-dimethyl-5-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 17436226
propan-2-yl 5-[(2-carbamoylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 9399113

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2,4-dimethyl-5-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of propan-2-yl 2,4-dimethyl-5-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]-1H-pyrrole-3-carboxylate (CID 55439633) is propan-2-yl 2,4-dimethyl-5-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for propan-2-yl 2,4-dimethyl-5-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for propan-2-yl 2,4-dimethyl-5-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]-1H-pyrrole-3-carboxylate is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3[nH]c(C)c(C(=O)OC(C)C)c3C)cc2)cc1.
What is the InChIKey of propan-2-yl 2,4-dimethyl-5-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]-1H-pyrrole-3-carboxylate?
The InChIKey is MWNJCJWIIBASSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-14(2)32-24(29)21-16(4)22(25-17(21)5)23(28)26-18-8-10-19(11-9-18)27-33(30,31)20-12-6-15(3)7-13-20/h6-14,25,27H,1-5H3,(H,26,28).
What are the key properties of propan-2-yl 2,4-dimethyl-5-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]-1H-pyrrole-3-carboxylate?
propan-2-yl 2,4-dimethyl-5-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]-1H-pyrrole-3-carboxylate has a molecular weight of 469.56 g/mol, XLogP of 4.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,4-dimethyl-5-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 55439633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).