N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]butanamide

C17H21N3O3S2 — CID 1458429

IUPACN-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cs1
InChIInChI=1S/C17H21N3O3S2/c1-4-5-16(21)19-17-18-14(10-24-17)12-6-7-15-13(9-12)8-11(2)20(15)25(3,22)23/h6-7,9-11H,4-5,8H2,1-3H3,(H,18,19,21)/t11-/m0/s1
InChIKeyOKKRDNNDQAWXAX-NSHDSACASA-N
MW379.51 g/mol
LogP3.26
Rot. Bonds5

About N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]butanamide

N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]butanamide (PubChem CID 1458429) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]butanamide
PubChem CID1458429
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC NameN-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cs1
InChIInChI=1S/C17H21N3O3S2/c1-4-5-16(21)19-17-18-14(10-24-17)12-6-7-15-13(9-12)8-11(2)20(15)25(3,22)23/h6-7,9-11H,4-5,8H2,1-3H3,(H,18,19,21)/t11-/m0/s1
InChIKeyOKKRDNNDQAWXAX-NSHDSACASA-N
XLogP3.26
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]butanamide with MolForge

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Related Compounds

N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]propanamide
CID 1458577
N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 92969218
2-cyclohexyl-N-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 3226518
2-methyl-N-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 3707611
N-methyl-4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine
CID 7436682
N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 1458548
4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 17408245
N-[(4-fluorophenyl)methyl]-4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine
CID 24505639
4-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenol
CID 135913068
2-methyl-1-methylsulfonyl-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide
CID 43055333
N-(furan-2-ylmethyl)-2-[4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 33405157
2-benzyl-4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazole
CID 9174201

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]butanamide?
The IUPAC name of N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]butanamide (CID 1458429) is N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]butanamide is CCCC(=O)Nc1nc(-c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cs1.
What is the InChIKey of N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]butanamide?
The InChIKey is OKKRDNNDQAWXAX-NSHDSACASA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-4-5-16(21)19-17-18-14(10-24-17)12-6-7-15-13(9-12)8-11(2)20(15)25(3,22)23/h6-7,9-11H,4-5,8H2,1-3H3,(H,18,19,21)/t11-/m0/s1.
What are the key properties of N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]butanamide?
N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]butanamide has a molecular weight of 379.51 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 1458429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).