N-(2-butylpyrazol-3-yl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide

C14H19ClN4O3S2 — CID 86983067

IUPACN-(2-butylpyrazol-3-yl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
SMILESCCCCn1nccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H19ClN4O3S2/c1-3-4-9-19-12(7-8-16-19)17-13(20)10-18(2)24(21,22)14-6-5-11(15)23-14/h5-8H,3-4,9-10H2,1-2H3,(H,17,20)
InChIKeyNZCMFQIQYFYVTL-UHFFFAOYSA-N
MW390.92 g/mol
LogP2.66
Rot. Bonds8

About N-(2-butylpyrazol-3-yl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide

N-(2-butylpyrazol-3-yl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide (PubChem CID 86983067) has the molecular formula C14H19ClN4O3S2 and a molecular weight of 390.92 g/mol. Its IUPAC name is N-(2-butylpyrazol-3-yl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-butylpyrazol-3-yl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
PubChem CID86983067
Molecular FormulaC14H19ClN4O3S2
Molecular Weight390.92 g/mol
Exact Mass390.06
IUPAC NameN-(2-butylpyrazol-3-yl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
SMILESCCCCn1nccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H19ClN4O3S2/c1-3-4-9-19-12(7-8-16-19)17-13(20)10-18(2)24(21,22)14-6-5-11(15)23-14/h5-8H,3-4,9-10H2,1-2H3,(H,17,20)
InChIKeyNZCMFQIQYFYVTL-UHFFFAOYSA-N
XLogP2.66
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-butylpyrazol-3-yl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide 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

2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-butylpyrazol-3-yl)acetamide
CID 55968028
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55812298
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-hydroxy-2-pyridinyl)acetamide
CID 30160286
N-butyl-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide
CID 78783696
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 78776431
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide
CID 51158900
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-prop-2-enylacetamide
CID 9442232
N-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
CID 9412118
ethyl 2-[[5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 30750056
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide
CID 9341591
methyl 2-chloro-5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 38238252
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide
CID 78857238

Frequently Asked Questions

What is the IUPAC name of N-(2-butylpyrazol-3-yl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(2-butylpyrazol-3-yl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide (CID 86983067) is N-(2-butylpyrazol-3-yl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(2-butylpyrazol-3-yl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(2-butylpyrazol-3-yl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide is CCCCn1nccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of N-(2-butylpyrazol-3-yl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide?
The InChIKey is NZCMFQIQYFYVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O3S2/c1-3-4-9-19-12(7-8-16-19)17-13(20)10-18(2)24(21,22)14-6-5-11(15)23-14/h5-8H,3-4,9-10H2,1-2H3,(H,17,20).
What are the key properties of N-(2-butylpyrazol-3-yl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide?
N-(2-butylpyrazol-3-yl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide has a molecular weight of 390.92 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butylpyrazol-3-yl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 86983067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).