N-[2-(2-methylpropyl)pyrazol-3-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

C16H24N4O3S2 — CID 134011784

IUPACN-[2-(2-methylpropyl)pyrazol-3-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
SMILESCC(C)Cn1nccc1NC(=O)CCCN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H24N4O3S2/c1-13(2)12-20-14(8-9-17-20)18-15(21)6-4-10-19(3)25(22,23)16-7-5-11-24-16/h5,7-9,11,13H,4,6,10,12H2,1-3H3,(H,18,21)
InChIKeyIFKRNIYGNNOAND-UHFFFAOYSA-N
MW384.53 g/mol
LogP2.64
Rot. Bonds9

About N-[2-(2-methylpropyl)pyrazol-3-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

N-[2-(2-methylpropyl)pyrazol-3-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide (PubChem CID 134011784) has the molecular formula C16H24N4O3S2 and a molecular weight of 384.53 g/mol. Its IUPAC name is N-[2-(2-methylpropyl)pyrazol-3-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide.

Molecular Properties

Compound NameN-[2-(2-methylpropyl)pyrazol-3-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
PubChem CID134011784
Molecular FormulaC16H24N4O3S2
Molecular Weight384.53 g/mol
Exact Mass384.13
IUPAC NameN-[2-(2-methylpropyl)pyrazol-3-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
SMILESCC(C)Cn1nccc1NC(=O)CCCN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H24N4O3S2/c1-13(2)12-20-14(8-9-17-20)18-15(21)6-4-10-19(3)25(22,23)16-7-5-11-24-16/h5,7-9,11,13H,4,6,10,12H2,1-3H3,(H,18,21)
InChIKeyIFKRNIYGNNOAND-UHFFFAOYSA-N
XLogP2.64
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24666466
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide
CID 18136265
N-[1-(3,4-dichlorophenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24596037
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide
CID 167766558
N-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24596245
N-[1-(1-benzofuran-2-yl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 42930432
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24593558
N-(1-adamantyl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 17440887
N-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide
CID 47097276
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24681923
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(oxolan-2-ylmethyl)butanamide
CID 18160350
N-[(4-fluoro-3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 18138818

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropyl)pyrazol-3-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The IUPAC name of N-[2-(2-methylpropyl)pyrazol-3-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide (CID 134011784) is N-[2-(2-methylpropyl)pyrazol-3-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide.
What is the SMILES notation for N-[2-(2-methylpropyl)pyrazol-3-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The canonical SMILES for N-[2-(2-methylpropyl)pyrazol-3-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide is CC(C)Cn1nccc1NC(=O)CCCN(C)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-(2-methylpropyl)pyrazol-3-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The InChIKey is IFKRNIYGNNOAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S2/c1-13(2)12-20-14(8-9-17-20)18-15(21)6-4-10-19(3)25(22,23)16-7-5-11-24-16/h5,7-9,11,13H,4,6,10,12H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(2-methylpropyl)pyrazol-3-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
N-[2-(2-methylpropyl)pyrazol-3-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide has a molecular weight of 384.53 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropyl)pyrazol-3-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide is sourced from PubChem (CID 134011784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).