2-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(1H-pyrazol-5-yl)propanamide

C18H27N5O3S — CID 155964845

IUPAC2-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(1H-pyrazol-5-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C(N)Cc2ccn[nH]2)c1
InChIInChI=1S/C18H27N5O3S/c1-5-23(6-2)27(25,26)15-9-12(3)13(4)17(11-15)21-18(24)16(19)10-14-7-8-20-22-14/h7-9,11,16H,5-6,10,19H2,1-4H3,(H,20,22)(H,21,24)
InChIKeyATZZDFKDXNBVNK-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.57
Rot. Bonds8

About 2-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(1H-pyrazol-5-yl)propanamide

2-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(1H-pyrazol-5-yl)propanamide (PubChem CID 155964845) has the molecular formula C18H27N5O3S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(1H-pyrazol-5-yl)propanamide
PubChem CID155964845
Molecular FormulaC18H27N5O3S
Molecular Weight393.51 g/mol
Exact Mass393.18
IUPAC Name2-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(1H-pyrazol-5-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C(N)Cc2ccn[nH]2)c1
InChIInChI=1S/C18H27N5O3S/c1-5-23(6-2)27(25,26)15-9-12(3)13(4)17(11-15)21-18(24)16(19)10-14-7-8-20-22-14/h7-9,11,16H,5-6,10,19H2,1-4H3,(H,20,22)(H,21,24)
InChIKeyATZZDFKDXNBVNK-UHFFFAOYSA-N
XLogP1.57
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2-ethyl-4-hydroxyphenyl)-3-(1H-pyrazol-5-yl)propanamide
CID 167930349
3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]propanamide;hydrochloride
CID 119272848
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]piperidine-4-carboxamide
CID 119272853
ethyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate
CID 94905304
2-amino-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 43703439
2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]pentanamide;hydrochloride
CID 119267336
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]pyrrolidine-3-carboxamide
CID 119692557
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-ethoxypyridine-3-carboxamide
CID 27832560
(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide
CID 107569318
2-(6-chloro-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 86933475
methyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate;dihydrochloride
CID 70074311
(2S)-2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]propanamide
CID 119267327

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(1H-pyrazol-5-yl)propanamide?
The IUPAC name of 2-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(1H-pyrazol-5-yl)propanamide (CID 155964845) is 2-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 2-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 2-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(1H-pyrazol-5-yl)propanamide is CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C(N)Cc2ccn[nH]2)c1.
What is the InChIKey of 2-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(1H-pyrazol-5-yl)propanamide?
The InChIKey is ATZZDFKDXNBVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3S/c1-5-23(6-2)27(25,26)15-9-12(3)13(4)17(11-15)21-18(24)16(19)10-14-7-8-20-22-14/h7-9,11,16H,5-6,10,19H2,1-4H3,(H,20,22)(H,21,24).
What are the key properties of 2-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(1H-pyrazol-5-yl)propanamide?
2-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(1H-pyrazol-5-yl)propanamide has a molecular weight of 393.51 g/mol, XLogP of 1.57, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 155964845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).