N-[4-(carbamoylamino)phenyl]-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide

C25H27N5O5S — CID 135264896

IUPACN-[4-(carbamoylamino)phenyl]-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)NC(Cc1ccccc1)C(=O)N(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C25H27N5O5S/c1-17-8-6-7-11-22(17)36(34,35)29-25(33)28-21(16-18-9-4-3-5-10-18)23(31)30(2)20-14-12-19(13-15-20)27-24(26)32/h3-15,21H,16H2,1-2H3,(H3,26,27,32)(H2,28,29,33)
InChIKeyJCXNAOQEDBJMNG-UHFFFAOYSA-N
MW509.59 g/mol
LogP2.75
Rot. Bonds8

About N-[4-(carbamoylamino)phenyl]-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide

N-[4-(carbamoylamino)phenyl]-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide (PubChem CID 135264896) has the molecular formula C25H27N5O5S and a molecular weight of 509.59 g/mol. Its IUPAC name is N-[4-(carbamoylamino)phenyl]-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(carbamoylamino)phenyl]-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
PubChem CID135264896
Molecular FormulaC25H27N5O5S
Molecular Weight509.59 g/mol
Exact Mass509.17
IUPAC NameN-[4-(carbamoylamino)phenyl]-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)NC(Cc1ccccc1)C(=O)N(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C25H27N5O5S/c1-17-8-6-7-11-22(17)36(34,35)29-25(33)28-21(16-18-9-4-3-5-10-18)23(31)30(2)20-14-12-19(13-15-20)27-24(26)32/h3-15,21H,16H2,1-2H3,(H3,26,27,32)(H2,28,29,33)
InChIKeyJCXNAOQEDBJMNG-UHFFFAOYSA-N
XLogP2.75
TPSA150.70 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.59
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(4-methoxy-3-methylphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
CID 118038110
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
CID 118039001
N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinoxalin-6-ylpropanamide
CID 118038545
(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-3-(4-methylphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide
CID 118038667
(2S)-N-(1H-benzimidazol-4-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
CID 118039223
(2S)-3-(3,5-difluorophenyl)-N-methyl-N-(3-methylphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide
CID 122523356
N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-N-naphthalen-2-yl-3-phenylpropanamide
CID 118037736
2-[(2-chlorophenyl)sulfonylcarbamoylamino]-N-(3,4-dihydroxyphenyl)-N-methyl-3-phenylpropanamide
CID 123978616
N-[4-(dimethylcarbamoylamino)phenyl]-N-methyl-2-[(2-methylphenyl)sulfanylcarbamoylamino]-3-phenylpropanamide
CID 144835934
(2S)-N-(4-methoxyphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-thiophen-2-ylpropanamide
CID 118037824
(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-3-(2-methylphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide
CID 118039079
N-(4-methoxyphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 118038144

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylamino)phenyl]-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide?
The IUPAC name of N-[4-(carbamoylamino)phenyl]-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide (CID 135264896) is N-[4-(carbamoylamino)phenyl]-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide.
What is the SMILES notation for N-[4-(carbamoylamino)phenyl]-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide?
The canonical SMILES for N-[4-(carbamoylamino)phenyl]-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide is Cc1ccccc1S(=O)(=O)NC(=O)NC(Cc1ccccc1)C(=O)N(C)c1ccc(NC(N)=O)cc1.
What is the InChIKey of N-[4-(carbamoylamino)phenyl]-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide?
The InChIKey is JCXNAOQEDBJMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O5S/c1-17-8-6-7-11-22(17)36(34,35)29-25(33)28-21(16-18-9-4-3-5-10-18)23(31)30(2)20-14-12-19(13-15-20)27-24(26)32/h3-15,21H,16H2,1-2H3,(H3,26,27,32)(H2,28,29,33).
What are the key properties of N-[4-(carbamoylamino)phenyl]-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide?
N-[4-(carbamoylamino)phenyl]-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide has a molecular weight of 509.59 g/mol, XLogP of 2.75, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylamino)phenyl]-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide is sourced from PubChem (CID 135264896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).