N-[4-methyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-2-yl]methanesulfonamide

C15H17N3O3S2 — CID 100772751

IUPACN-[4-methyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-2-yl]methanesulfonamide
SMILESCc1nc(NS(C)(=O)=O)sc1C(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C15H17N3O3S2/c1-9-8-11-6-4-5-7-12(11)18(9)14(19)13-10(2)16-15(22-13)17-23(3,20)21/h4-7,9H,8H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKeyQILYMXPTZULVLW-VIFPVBQESA-N
MW351.45 g/mol
LogP2.41
Rot. Bonds3

About N-[4-methyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-2-yl]methanesulfonamide

N-[4-methyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-2-yl]methanesulfonamide (PubChem CID 100772751) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[4-methyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-methyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-2-yl]methanesulfonamide
PubChem CID100772751
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC NameN-[4-methyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-2-yl]methanesulfonamide
SMILESCc1nc(NS(C)(=O)=O)sc1C(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C15H17N3O3S2/c1-9-8-11-6-4-5-7-12(11)18(9)14(19)13-10(2)16-15(22-13)17-23(3,20)21/h4-7,9H,8H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKeyQILYMXPTZULVLW-VIFPVBQESA-N
XLogP2.41
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-methyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-2-yl]methanesulfonamide with MolForge

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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 42905966
(2-methyl-2,3-dihydroindol-1-yl)-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 46533643
N-[2-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]methanesulfonamide
CID 41368454
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
CID 39080777
(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 110863850
(2-methyl-2,3-dihydroindol-1-yl)-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 3186577
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 26910878
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
[4-(4-methoxyphenyl)thiadiazol-5-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 100774869
(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone
CID 110863904
[5-(benzenesulfonyl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 53124466
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 110651148

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-2-yl]methanesulfonamide?
The IUPAC name of N-[4-methyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-2-yl]methanesulfonamide (CID 100772751) is N-[4-methyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-2-yl]methanesulfonamide.
What is the SMILES notation for N-[4-methyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-2-yl]methanesulfonamide?
The canonical SMILES for N-[4-methyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-2-yl]methanesulfonamide is Cc1nc(NS(C)(=O)=O)sc1C(=O)N1c2ccccc2C[C@@H]1C.
What is the InChIKey of N-[4-methyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-2-yl]methanesulfonamide?
The InChIKey is QILYMXPTZULVLW-VIFPVBQESA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-9-8-11-6-4-5-7-12(11)18(9)14(19)13-10(2)16-15(22-13)17-23(3,20)21/h4-7,9H,8H2,1-3H3,(H,16,17)/t9-/m0/s1.
What are the key properties of N-[4-methyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-2-yl]methanesulfonamide?
N-[4-methyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-2-yl]methanesulfonamide has a molecular weight of 351.45 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 100772751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).