(2S)-2-(dimethylsulfamoylamino)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide

C16H24N4O3S — CID 110286320

IUPAC(2S)-2-(dimethylsulfamoylamino)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)N(C)C
InChIInChI=1S/C16H24N4O3S/c1-11(2)18-16(21)15(19-24(22,23)20(3)4)9-12-10-17-14-8-6-5-7-13(12)14/h5-8,10-11,15,17,19H,9H2,1-4H3,(H,18,21)/t15-/m0/s1
InChIKeyONNUJDZYDWRIQS-HNNXBMFYSA-N
MW352.46 g/mol
LogP1.00
Rot. Bonds7

About (2S)-2-(dimethylsulfamoylamino)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide

(2S)-2-(dimethylsulfamoylamino)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide (PubChem CID 110286320) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is (2S)-2-(dimethylsulfamoylamino)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-(dimethylsulfamoylamino)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
PubChem CID110286320
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name(2S)-2-(dimethylsulfamoylamino)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)N(C)C
InChIInChI=1S/C16H24N4O3S/c1-11(2)18-16(21)15(19-24(22,23)20(3)4)9-12-10-17-14-8-6-5-7-13(12)14/h5-8,10-11,15,17,19H,9H2,1-4H3,(H,18,21)/t15-/m0/s1
InChIKeyONNUJDZYDWRIQS-HNNXBMFYSA-N
XLogP1.00
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
3-[[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]propane-1-sulfonic acid
CID 59771475
(2S)-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)-N-propan-2-ylpropanamide
CID 110286300
(2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-propan-2-ylpropanamide
CID 110286296
3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 582733
2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 18979112
[(1R)-1-[[(2S)-2-(benzylsulfonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutyl]boronic acid
CID 165382079
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-phenylpropanamide
CID 94102423
2-[[2-(2-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoic acid
CID 18218555
N-[1-(1H-indol-3-yl)-3-[methyl(propan-2-yl)amino]propan-2-yl]acetamide
CID 21345269
2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 4224605
2-[[2-(diethylsulfamoyl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 119201528

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylsulfamoylamino)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-(dimethylsulfamoylamino)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide (CID 110286320) is (2S)-2-(dimethylsulfamoylamino)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-(dimethylsulfamoylamino)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-(dimethylsulfamoylamino)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)N(C)C.
What is the InChIKey of (2S)-2-(dimethylsulfamoylamino)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide?
The InChIKey is ONNUJDZYDWRIQS-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-11(2)18-16(21)15(19-24(22,23)20(3)4)9-12-10-17-14-8-6-5-7-13(12)14/h5-8,10-11,15,17,19H,9H2,1-4H3,(H,18,21)/t15-/m0/s1.
What are the key properties of (2S)-2-(dimethylsulfamoylamino)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide?
(2S)-2-(dimethylsulfamoylamino)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide has a molecular weight of 352.46 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylsulfamoylamino)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 110286320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).