N-cyclopropyl-2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide

C15H18N4O3S — CID 71806623

IUPACN-cyclopropyl-2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(CC(=O)NC3CC3)cc2)cn1
InChIInChI=1S/C15H18N4O3S/c1-19-10-14(9-16-19)23(21,22)18-13-4-2-11(3-5-13)8-15(20)17-12-6-7-12/h2-5,9-10,12,18H,6-8H2,1H3,(H,17,20)
InChIKeyYXXINDGCENDUGE-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.04
Rot. Bonds6

About N-cyclopropyl-2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide

N-cyclopropyl-2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide (PubChem CID 71806623) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
PubChem CID71806623
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-cyclopropyl-2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(CC(=O)NC3CC3)cc2)cn1
InChIInChI=1S/C15H18N4O3S/c1-19-10-14(9-16-19)23(21,22)18-13-4-2-11(3-5-13)8-15(20)17-12-6-7-12/h2-5,9-10,12,18H,6-8H2,1H3,(H,17,20)
InChIKeyYXXINDGCENDUGE-UHFFFAOYSA-N
XLogP1.04
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]methyl]butanoic acid
CID 129398690
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-4-yl)acetamide
CID 32604191
N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide
CID 56829180
1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-4-sulfonamide
CID 71806482
4-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]butanoic acid
CID 167978269
2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43535059
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide
CID 99711424
N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1-methylpyrazole-4-sulfonamide
CID 160510211
cis-(1R,3S)-3-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321626
N-[5-(aminomethyl)-2-pyridinyl]-1-methylpyrazole-4-sulfonamide
CID 62353719
4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]benzoic acid
CID 43361422
2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 27711021

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide (CID 71806623) is N-cyclopropyl-2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide is Cn1cc(S(=O)(=O)Nc2ccc(CC(=O)NC3CC3)cc2)cn1.
What is the InChIKey of N-cyclopropyl-2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide?
The InChIKey is YXXINDGCENDUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-19-10-14(9-16-19)23(21,22)18-13-4-2-11(3-5-13)8-15(20)17-12-6-7-12/h2-5,9-10,12,18H,6-8H2,1H3,(H,17,20).
What are the key properties of N-cyclopropyl-2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide?
N-cyclopropyl-2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide has a molecular weight of 334.40 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 71806623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).