N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C17H22N4O3S — CID 43073936

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCc1c(C(C)NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cnn1C
InChIInChI=1S/C17H22N4O3S/c1-11(15-10-18-20(3)12(15)2)19-17(22)14-5-6-16-13(9-14)7-8-21(16)25(4,23)24/h5-6,9-11H,7-8H2,1-4H3,(H,19,22)
InChIKeySYNQQXWWMADKNY-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.54
Rot. Bonds4

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 43073936) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID43073936
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCc1c(C(C)NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cnn1C
InChIInChI=1S/C17H22N4O3S/c1-11(15-10-18-20(3)12(15)2)19-17(22)14-5-6-16-13(9-14)7-8-21(16)25(4,23)24/h5-6,9-11H,7-8H2,1-4H3,(H,19,22)
InChIKeySYNQQXWWMADKNY-UHFFFAOYSA-N
XLogP1.54
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55595616
N-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 40640781
4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 119730438
N-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8777596
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 25497877
N-[2-(2-methylpropanoylamino)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 43012689
1-methylsulfonyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 24761444
2-methyl-3-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 119237207
6-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 66462120
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55397690
N-[(2R)-2-(ethylamino)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 120652193
N-[(1S)-1-(4-chlorophenyl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 40811861

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 43073936) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is Cc1c(C(C)NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cnn1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is SYNQQXWWMADKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-11(15-10-18-20(3)12(15)2)19-17(22)14-5-6-16-13(9-14)7-8-21(16)25(4,23)24/h5-6,9-11H,7-8H2,1-4H3,(H,19,22).
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 43073936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).