N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C16H18N4O4S2 — CID 55483539

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)Nc3nc(CC(N)=O)cs3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C16H18N4O4S2/c1-9-5-11-6-10(3-4-13(11)20(9)26(2,23)24)15(22)19-16-18-12(8-25-16)7-14(17)21/h3-4,6,8-9H,5,7H2,1-2H3,(H2,17,21)(H,18,19,22)
InChIKeyQYSPWOBJQGBBOY-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.13
Rot. Bonds5

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 55483539) has the molecular formula C16H18N4O4S2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID55483539
Molecular FormulaC16H18N4O4S2
Molecular Weight394.48 g/mol
Exact Mass394.08
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)Nc3nc(CC(N)=O)cs3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C16H18N4O4S2/c1-9-5-11-6-10(3-4-13(11)20(9)26(2,23)24)15(22)19-16-18-12(8-25-16)7-14(17)21/h3-4,6,8-9H,5,7H2,1-2H3,(H2,17,21)(H,18,19,22)
InChIKeyQYSPWOBJQGBBOY-UHFFFAOYSA-N
XLogP1.13
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-1-methylsulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide
CID 45354619
(2S)-2-methyl-1-methylsulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide
CID 25492200
2-methyl-1-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-carboxamide
CID 42893734
(2R)-2-methyl-1-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-carboxamide
CID 28539705
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51233109
2-methyl-1-methylsulfonyl-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide
CID 43055333
N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 1458548
(2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide
CID 27700275
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 33391273
(2R)-2-methyl-1-methylsulfonyl-N-naphthalen-1-yl-2,3-dihydroindole-5-carboxamide
CID 41452595
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 55483539) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CC1Cc2cc(C(=O)Nc3nc(CC(N)=O)cs3)ccc2N1S(C)(=O)=O.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is QYSPWOBJQGBBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S2/c1-9-5-11-6-10(3-4-13(11)20(9)26(2,23)24)15(22)19-16-18-12(8-25-16)7-14(17)21/h3-4,6,8-9H,5,7H2,1-2H3,(H2,17,21)(H,18,19,22).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55483539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).