N-(2-amino-5-thiophen-3-ylphenyl)-4-[3-(methanesulfonamido)-1-(methylamino)-1-oxopropan-2-yl]benzamide

C22H24N4O4S2 — CID 24753767

IUPACN-(2-amino-5-thiophen-3-ylphenyl)-4-[3-(methanesulfonamido)-1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)C(CNS(C)(=O)=O)c1ccc(C(=O)Nc2cc(-c3ccsc3)ccc2N)cc1
InChIInChI=1S/C22H24N4O4S2/c1-24-22(28)18(12-25-32(2,29)30)14-3-5-15(6-4-14)21(27)26-20-11-16(7-8-19(20)23)17-9-10-31-13-17/h3-11,13,18,25H,12,23H2,1-2H3,(H,24,28)(H,26,27)
InChIKeyUBHFNTLZKNYJIK-UHFFFAOYSA-N
MW472.59 g/mol
LogP2.63
Rot. Bonds8

About N-(2-amino-5-thiophen-3-ylphenyl)-4-[3-(methanesulfonamido)-1-(methylamino)-1-oxopropan-2-yl]benzamide

N-(2-amino-5-thiophen-3-ylphenyl)-4-[3-(methanesulfonamido)-1-(methylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 24753767) has the molecular formula C22H24N4O4S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-3-ylphenyl)-4-[3-(methanesulfonamido)-1-(methylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-3-ylphenyl)-4-[3-(methanesulfonamido)-1-(methylamino)-1-oxopropan-2-yl]benzamide
PubChem CID24753767
Molecular FormulaC22H24N4O4S2
Molecular Weight472.59 g/mol
Exact Mass472.12
IUPAC NameN-(2-amino-5-thiophen-3-ylphenyl)-4-[3-(methanesulfonamido)-1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)C(CNS(C)(=O)=O)c1ccc(C(=O)Nc2cc(-c3ccsc3)ccc2N)cc1
InChIInChI=1S/C22H24N4O4S2/c1-24-22(28)18(12-25-32(2,29)30)14-3-5-15(6-4-14)21(27)26-20-11-16(7-8-19(20)23)17-9-10-31-13-17/h3-11,13,18,25H,12,23H2,1-2H3,(H,24,28)(H,26,27)
InChIKeyUBHFNTLZKNYJIK-UHFFFAOYSA-N
XLogP2.63
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-thiophen-3-ylphenyl)-4-methylbenzamide
CID 68725610
N-(2-amino-5-thiophen-3-ylphenyl)-4-[[2-(methylamino)-2-oxoethyl]amino]benzamide
CID 24947107
[(2S)-3-[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl]-1-(methylamino)-1-oxopropan-2-yl]-benzylcarbamic acid
CID 24753578
[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl] acetate
CID 69101275
2-(dimethylamino)ethyl N-[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl]carbamate
CID 69101191
4-[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl]butanoic acid
CID 158119892
[(2S)-3-[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl]-1-oxo-1-(propylamino)propan-2-yl]carbamic acid
CID 67497874
N-(2-amino-5-thiophen-3-ylphenyl)-4-[(4R)-4-(dimethylamino)-2-iminopentyl]benzamide
CID 174575858
[(2S)-3-[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl]-1-(cyclopropylamino)-1-oxopropan-2-yl]carbamic acid
CID 67497881
[1-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2-(methylamino)-2-oxoethyl] 2-methylpropanoate
CID 24783960
N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide
CID 126707746
N-(2-amino-5-thiophen-3-ylphenyl)-6-[[methoxy(phenyl)phosphanyl]methyl]pyridine-3-carboxamide
CID 143614084

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-3-ylphenyl)-4-[3-(methanesulfonamido)-1-(methylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-(2-amino-5-thiophen-3-ylphenyl)-4-[3-(methanesulfonamido)-1-(methylamino)-1-oxopropan-2-yl]benzamide (CID 24753767) is N-(2-amino-5-thiophen-3-ylphenyl)-4-[3-(methanesulfonamido)-1-(methylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-3-ylphenyl)-4-[3-(methanesulfonamido)-1-(methylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-(2-amino-5-thiophen-3-ylphenyl)-4-[3-(methanesulfonamido)-1-(methylamino)-1-oxopropan-2-yl]benzamide is CNC(=O)C(CNS(C)(=O)=O)c1ccc(C(=O)Nc2cc(-c3ccsc3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-thiophen-3-ylphenyl)-4-[3-(methanesulfonamido)-1-(methylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is UBHFNTLZKNYJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S2/c1-24-22(28)18(12-25-32(2,29)30)14-3-5-15(6-4-14)21(27)26-20-11-16(7-8-19(20)23)17-9-10-31-13-17/h3-11,13,18,25H,12,23H2,1-2H3,(H,24,28)(H,26,27).
What are the key properties of N-(2-amino-5-thiophen-3-ylphenyl)-4-[3-(methanesulfonamido)-1-(methylamino)-1-oxopropan-2-yl]benzamide?
N-(2-amino-5-thiophen-3-ylphenyl)-4-[3-(methanesulfonamido)-1-(methylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 472.59 g/mol, XLogP of 2.63, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-3-ylphenyl)-4-[3-(methanesulfonamido)-1-(methylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 24753767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).