N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(methanesulfonamido)benzamide

C17H19N3O5S — CID 171697813

IUPACN-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)c1
InChIInChI=1S/C17H19N3O5S/c1-26(24,25)20-13-4-2-3-12(10-13)17(23)19-15(16(18)22)9-11-5-7-14(21)8-6-11/h2-8,10,15,20-21H,9H2,1H3,(H2,18,22)(H,19,23)/t15-/m0/s1
InChIKeyLBLZMFOLKUQTCP-HNNXBMFYSA-N
MW377.42 g/mol
LogP0.59
Rot. Bonds7

About N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(methanesulfonamido)benzamide

N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(methanesulfonamido)benzamide (PubChem CID 171697813) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(methanesulfonamido)benzamide
PubChem CID171697813
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC NameN-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)c1
InChIInChI=1S/C17H19N3O5S/c1-26(24,25)20-13-4-2-3-12(10-13)17(23)19-15(16(18)22)9-11-5-7-14(21)8-6-11/h2-8,10,15,20-21H,9H2,1H3,(H2,18,22)(H,19,23)/t15-/m0/s1
InChIKeyLBLZMFOLKUQTCP-HNNXBMFYSA-N
XLogP0.59
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(methanesulfonamido)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

methyl (2S)-2-[[3-(methanesulfonamido)benzoyl]amino]heptanoate
CID 96530024
methyl (2R)-2-[[3-(ethylsulfonylamino)benzoyl]amino]-3-phenylpropanoate
CID 25342310
methyl 3-[[3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]benzoate
CID 108799703
3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide
CID 18107551
3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 41453393
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(methanesulfonamido)benzamide
CID 55702907
N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 171688977
methyl (2S)-2-[[3,5-bis[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate
CID 139041889
N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 31726265
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 784806
(2S)-2-[(2-acetamidoacetyl)amino]-3-(4-hydroxyphenyl)propanamide
CID 172868534

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(methanesulfonamido)benzamide?
The IUPAC name of N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(methanesulfonamido)benzamide (CID 171697813) is N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1cccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)c1.
What is the InChIKey of N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(methanesulfonamido)benzamide?
The InChIKey is LBLZMFOLKUQTCP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-26(24,25)20-13-4-2-3-12(10-13)17(23)19-15(16(18)22)9-11-5-7-14(21)8-6-11/h2-8,10,15,20-21H,9H2,1H3,(H2,18,22)(H,19,23)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(methanesulfonamido)benzamide?
N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(methanesulfonamido)benzamide has a molecular weight of 377.42 g/mol, XLogP of 0.59, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 171697813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).