(3R)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(2-methylbutan-2-yl)butanamide

C21H30N2O4S — CID 92708703

IUPAC(3R)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(2-methylbutan-2-yl)butanamide
SMILESCCC(C)(C)NC(=O)C[C@@H](C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1
InChIInChI=1S/C21H30N2O4S/c1-5-21(3,4)22-19(24)12-14(2)28(26,27)17-8-9-18-16(13-17)10-11-23(18)20(25)15-6-7-15/h8-9,13-15H,5-7,10-12H2,1-4H3,(H,22,24)/t14-/m1/s1
InChIKeyMONBMBXTVQOJEU-CQSZACIVSA-N
MW406.55 g/mol
LogP2.84
Rot. Bonds7

About (3R)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(2-methylbutan-2-yl)butanamide

(3R)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(2-methylbutan-2-yl)butanamide (PubChem CID 92708703) has the molecular formula C21H30N2O4S and a molecular weight of 406.55 g/mol. Its IUPAC name is (3R)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(2-methylbutan-2-yl)butanamide.

Molecular Properties

Compound Name(3R)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(2-methylbutan-2-yl)butanamide
PubChem CID92708703
Molecular FormulaC21H30N2O4S
Molecular Weight406.55 g/mol
Exact Mass406.19
IUPAC Name(3R)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(2-methylbutan-2-yl)butanamide
SMILESCCC(C)(C)NC(=O)C[C@@H](C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1
InChIInChI=1S/C21H30N2O4S/c1-5-21(3,4)22-19(24)12-14(2)28(26,27)17-8-9-18-16(13-17)10-11-23(18)20(25)15-6-7-15/h8-9,13-15H,5-7,10-12H2,1-4H3,(H,22,24)/t14-/m1/s1
InChIKeyMONBMBXTVQOJEU-CQSZACIVSA-N
XLogP2.84
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-cyclooctyl-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]butanamide
CID 92708682
(3S)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(3,5-dimethylphenyl)butanamide
CID 92708697
(3R)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(thiophen-2-ylmethyl)butanamide
CID 92708708
(3S)-N-(2-chloro-4-fluorophenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]butanamide
CID 92708715
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-ethyl-N-phenylbutanamide
CID 20950710
(3R)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]butanamide
CID 92708699
(3R)-N-(4-acetamidophenyl)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]butanamide
CID 92742849
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)butanamide
CID 20914857
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2-chlorophenyl)butanamide
CID 46276882
1-(cyclopropanecarbonyl)-N-(4-methyl-4-phenylpentan-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 133160493
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-methylcyclohexyl)propanamide
CID 20950665

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(2-methylbutan-2-yl)butanamide?
The IUPAC name of (3R)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(2-methylbutan-2-yl)butanamide (CID 92708703) is (3R)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(2-methylbutan-2-yl)butanamide.
What is the SMILES notation for (3R)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(2-methylbutan-2-yl)butanamide?
The canonical SMILES for (3R)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(2-methylbutan-2-yl)butanamide is CCC(C)(C)NC(=O)C[C@@H](C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1.
What is the InChIKey of (3R)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(2-methylbutan-2-yl)butanamide?
The InChIKey is MONBMBXTVQOJEU-CQSZACIVSA-N. The full InChI is InChI=1S/C21H30N2O4S/c1-5-21(3,4)22-19(24)12-14(2)28(26,27)17-8-9-18-16(13-17)10-11-23(18)20(25)15-6-7-15/h8-9,13-15H,5-7,10-12H2,1-4H3,(H,22,24)/t14-/m1/s1.
What are the key properties of (3R)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(2-methylbutan-2-yl)butanamide?
(3R)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(2-methylbutan-2-yl)butanamide has a molecular weight of 406.55 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(2-methylbutan-2-yl)butanamide is sourced from PubChem (CID 92708703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).