N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(benzenesulfonamido)propanamide

C14H17N5O4S — CID 55848395

IUPACN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(benzenesulfonamido)propanamide
SMILESNC(=O)Cn1cc(NC(=O)CCNS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C14H17N5O4S/c15-13(20)10-19-9-11(8-16-19)18-14(21)6-7-17-24(22,23)12-4-2-1-3-5-12/h1-5,8-9,17H,6-7,10H2,(H2,15,20)(H,18,21)
InChIKeyXKVLJYRDQRIWEQ-UHFFFAOYSA-N
MW351.39 g/mol
LogP-0.32
Rot. Bonds8

About N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(benzenesulfonamido)propanamide

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(benzenesulfonamido)propanamide (PubChem CID 55848395) has the molecular formula C14H17N5O4S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(benzenesulfonamido)propanamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(benzenesulfonamido)propanamide
PubChem CID55848395
Molecular FormulaC14H17N5O4S
Molecular Weight351.39 g/mol
Exact Mass351.10
IUPAC NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(benzenesulfonamido)propanamide
SMILESNC(=O)Cn1cc(NC(=O)CCNS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C14H17N5O4S/c15-13(20)10-19-9-11(8-16-19)18-14(21)6-7-17-24(22,23)12-4-2-1-3-5-12/h1-5,8-9,17H,6-7,10H2,(H2,15,20)(H,18,21)
InChIKeyXKVLJYRDQRIWEQ-UHFFFAOYSA-N
XLogP-0.32
TPSA136.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpyrazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55947329
3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide
CID 52553671
N-(1-tert-butylpyrazol-4-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 86861979
3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide
CID 9412312
3-(benzenesulfonamido)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 18268034
2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 43705851
3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide
CID 18128082
2-[4-[(5-amino-5-oxopentyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 106238927
3-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]propanoic acid
CID 43709814
3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 17225990
2-[4-(methanesulfonamido)pyrazol-1-yl]acetamide
CID 61062005
3-(benzenesulfonamido)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 46417093

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(benzenesulfonamido)propanamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(benzenesulfonamido)propanamide (CID 55848395) is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(benzenesulfonamido)propanamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(benzenesulfonamido)propanamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(benzenesulfonamido)propanamide is NC(=O)Cn1cc(NC(=O)CCNS(=O)(=O)c2ccccc2)cn1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(benzenesulfonamido)propanamide?
The InChIKey is XKVLJYRDQRIWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4S/c15-13(20)10-19-9-11(8-16-19)18-14(21)6-7-17-24(22,23)12-4-2-1-3-5-12/h1-5,8-9,17H,6-7,10H2,(H2,15,20)(H,18,21).
What are the key properties of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(benzenesulfonamido)propanamide?
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(benzenesulfonamido)propanamide has a molecular weight of 351.39 g/mol, XLogP of -0.32, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(benzenesulfonamido)propanamide is sourced from PubChem (CID 55848395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).