N-[[4-[[2-methyl-5-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide

C27H24N4O3S — CID 55766108

IUPACN-[[4-[[2-methyl-5-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C27H24N4O3S/c1-18-9-14-22(30-27(34)29-21-6-3-2-4-7-21)16-23(18)31-25(32)20-12-10-19(11-13-20)17-28-26(33)24-8-5-15-35-24/h2-16H,17H2,1H3,(H,28,33)(H,31,32)(H2,29,30,34)
InChIKeyBTGDBAZAXIDDIX-UHFFFAOYSA-N
MW484.58 g/mol
LogP5.88
Rot. Bonds7

About N-[[4-[[2-methyl-5-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide

N-[[4-[[2-methyl-5-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 55766108) has the molecular formula C27H24N4O3S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[[4-[[2-methyl-5-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[[2-methyl-5-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID55766108
Molecular FormulaC27H24N4O3S
Molecular Weight484.58 g/mol
Exact Mass484.16
IUPAC NameN-[[4-[[2-methyl-5-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C27H24N4O3S/c1-18-9-14-22(30-27(34)29-21-6-3-2-4-7-21)16-23(18)31-25(32)20-12-10-19(11-13-20)17-28-26(33)24-8-5-15-35-24/h2-16H,17H2,1H3,(H,28,33)(H,31,32)(H2,29,30,34)
InChIKeyBTGDBAZAXIDDIX-UHFFFAOYSA-N
XLogP5.88
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.58
LogP ≤ 55.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46485056
N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide
CID 55847462
N-[[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55755853
N-benzylthiophene-2-carboxamide
CID 574227
N-[2-[[4-[(3-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]thiophene-2-carboxamide
CID 121063056
2-[[2-methyl-5-(thiophene-2-carbonylamino)phenyl]carbamoyl]benzoic acid
CID 1432969
tert-butyl N-[[4-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]methyl]carbamate
CID 31516554
N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46484966
N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide
CID 22291056
N-[[4-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55752421

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-methyl-5-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-[[2-methyl-5-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide (CID 55766108) is N-[[4-[[2-methyl-5-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[[2-methyl-5-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[[2-methyl-5-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide is Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-[[2-methyl-5-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is BTGDBAZAXIDDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3S/c1-18-9-14-22(30-27(34)29-21-6-3-2-4-7-21)16-23(18)31-25(32)20-12-10-19(11-13-20)17-28-26(33)24-8-5-15-35-24/h2-16H,17H2,1H3,(H,28,33)(H,31,32)(H2,29,30,34).
What are the key properties of N-[[4-[[2-methyl-5-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
N-[[4-[[2-methyl-5-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 484.58 g/mol, XLogP of 5.88, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[2-methyl-5-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 55766108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).