5-[[(2S)-2-amino-3-(methanesulfonamido)propanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

C24H28N4O4S — CID 163231684

IUPAC5-[[(2S)-2-amino-3-(methanesulfonamido)propanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESCc1ccc(NC(=O)[C@@H](N)CNS(C)(=O)=O)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C24H28N4O4S/c1-15-11-12-18(28-24(30)22(25)14-26-33(3,31)32)13-21(15)23(29)27-16(2)19-10-6-8-17-7-4-5-9-20(17)19/h4-13,16,22,26H,14,25H2,1-3H3,(H,27,29)(H,28,30)/t16-,22+/m1/s1
InChIKeyFKHRMMUYGWYJGO-ZHRRBRCNSA-N
MW468.58 g/mol
LogP2.45
Rot. Bonds8

About 5-[[(2S)-2-amino-3-(methanesulfonamido)propanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

5-[[(2S)-2-amino-3-(methanesulfonamido)propanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (PubChem CID 163231684) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 5-[[(2S)-2-amino-3-(methanesulfonamido)propanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

Molecular Properties

Compound Name5-[[(2S)-2-amino-3-(methanesulfonamido)propanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
PubChem CID163231684
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name5-[[(2S)-2-amino-3-(methanesulfonamido)propanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESCc1ccc(NC(=O)[C@@H](N)CNS(C)(=O)=O)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C24H28N4O4S/c1-15-11-12-18(28-24(30)22(25)14-26-33(3,31)32)13-21(15)23(29)27-16(2)19-10-6-8-17-7-4-5-9-20(17)19/h4-13,16,22,26H,14,25H2,1-3H3,(H,27,29)(H,28,30)/t16-,22+/m1/s1
InChIKeyFKHRMMUYGWYJGO-ZHRRBRCNSA-N
XLogP2.45
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-[[(2S)-2-amino-3-(methanesulfonamido)propanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(2S)-2,3-diaminopropanoyl]amino]-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 163231879
5-[[(2S)-2-(dimethylamino)-3-hydroxypropanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231801
5-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231662
5-[[(2S)-2,3-diacetamidopropanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231632
5-(4-aminobutanoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231625
5-[[(2S)-2,3-diaminopropyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 175710928
5-(benzylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231845
(2S)-N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 175710910
5-[[(2R)-2,3-diaminopropanoyl]amino]-2-(methylamino)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;2,2,2-trifluoroacetic acid
CID 175710903
5-[(5-amino-4-methylthiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231572
2-methyl-5-[(1-methylsulfonylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231465
5-[(5-aminothiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231797

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-amino-3-(methanesulfonamido)propanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The IUPAC name of 5-[[(2S)-2-amino-3-(methanesulfonamido)propanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (CID 163231684) is 5-[[(2S)-2-amino-3-(methanesulfonamido)propanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.
What is the SMILES notation for 5-[[(2S)-2-amino-3-(methanesulfonamido)propanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The canonical SMILES for 5-[[(2S)-2-amino-3-(methanesulfonamido)propanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is Cc1ccc(NC(=O)[C@@H](N)CNS(C)(=O)=O)cc1C(=O)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of 5-[[(2S)-2-amino-3-(methanesulfonamido)propanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The InChIKey is FKHRMMUYGWYJGO-ZHRRBRCNSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-15-11-12-18(28-24(30)22(25)14-26-33(3,31)32)13-21(15)23(29)27-16(2)19-10-6-8-17-7-4-5-9-20(17)19/h4-13,16,22,26H,14,25H2,1-3H3,(H,27,29)(H,28,30)/t16-,22+/m1/s1.
What are the key properties of 5-[[(2S)-2-amino-3-(methanesulfonamido)propanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
5-[[(2S)-2-amino-3-(methanesulfonamido)propanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide has a molecular weight of 468.58 g/mol, XLogP of 2.45, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-amino-3-(methanesulfonamido)propanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is sourced from PubChem (CID 163231684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).