N-[3-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide

C16H23N5O3S — CID 119438590

IUPACN-[3-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
SMILESCCNCc1cccc(NC(=O)C(C)NS(=O)(=O)c2cnn(C)c2)c1
InChIInChI=1S/C16H23N5O3S/c1-4-17-9-13-6-5-7-14(8-13)19-16(22)12(2)20-25(23,24)15-10-18-21(3)11-15/h5-8,10-12,17,20H,4,9H2,1-3H3,(H,19,22)
InChIKeyGLXRVZMSSBGJCT-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.84
Rot. Bonds8

About N-[3-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide

N-[3-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide (PubChem CID 119438590) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
PubChem CID119438590
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
SMILESCCNCc1cccc(NC(=O)C(C)NS(=O)(=O)c2cnn(C)c2)c1
InChIInChI=1S/C16H23N5O3S/c1-4-17-9-13-6-5-7-14(8-13)19-16(22)12(2)20-25(23,24)15-10-18-21(3)11-15/h5-8,10-12,17,20H,4,9H2,1-3H3,(H,19,22)
InChIKeyGLXRVZMSSBGJCT-UHFFFAOYSA-N
XLogP0.84
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119440655
N-[3-(ethylaminomethyl)phenyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide
CID 119438203
N-[3-(ethylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 43601183
N-(2-amino-2-ethylbutyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119643452
(2S)-3-methyl-2-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoylamino]butanoic acid
CID 119359838
2-(dimethylamino)-N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide;dihydrochloride
CID 119438218
N,N-dimethyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 47034944
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
4-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]butanoic acid
CID 167978269
(2R)-N-(3-chlorophenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 97347601
N-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide
CID 62063494
N-[[3-(aminomethyl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 55030523

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide (CID 119438590) is N-[3-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide is CCNCc1cccc(NC(=O)C(C)NS(=O)(=O)c2cnn(C)c2)c1.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide?
The InChIKey is GLXRVZMSSBGJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-4-17-9-13-6-5-7-14(8-13)19-16(22)12(2)20-25(23,24)15-10-18-21(3)11-15/h5-8,10-12,17,20H,4,9H2,1-3H3,(H,19,22).
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide?
N-[3-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide has a molecular weight of 365.46 g/mol, XLogP of 0.84, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide is sourced from PubChem (CID 119438590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).