(3S)-N-[2-(2-methylindol-1-yl)ethyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide

C17H24N4O3S — CID 126437362

IUPAC(3S)-N-[2-(2-methylindol-1-yl)ethyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
SMILESCc1cc2ccccc2n1CCNC(=O)N1CC[C@H](CS(N)(=O)=O)C1
InChIInChI=1S/C17H24N4O3S/c1-13-10-15-4-2-3-5-16(15)21(13)9-7-19-17(22)20-8-6-14(11-20)12-25(18,23)24/h2-5,10,14H,6-9,11-12H2,1H3,(H,19,22)(H2,18,23,24)/t14-/m0/s1
InChIKeyZDDBHWUSSDFAPG-AWEZNQCLSA-N
MW364.47 g/mol
LogP1.27
Rot. Bonds5

About (3S)-N-[2-(2-methylindol-1-yl)ethyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide

(3S)-N-[2-(2-methylindol-1-yl)ethyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide (PubChem CID 126437362) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is (3S)-N-[2-(2-methylindol-1-yl)ethyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(2-methylindol-1-yl)ethyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
PubChem CID126437362
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name(3S)-N-[2-(2-methylindol-1-yl)ethyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
SMILESCc1cc2ccccc2n1CCNC(=O)N1CC[C@H](CS(N)(=O)=O)C1
InChIInChI=1S/C17H24N4O3S/c1-13-10-15-4-2-3-5-16(15)21(13)9-7-19-17(22)20-8-6-14(11-20)12-25(18,23)24/h2-5,10,14H,6-9,11-12H2,1H3,(H,19,22)(H2,18,23,24)/t14-/m0/s1
InChIKeyZDDBHWUSSDFAPG-AWEZNQCLSA-N
XLogP1.27
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 122556978
(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126436509
N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4287474
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2-methylindol-1-yl)propan-1-one
CID 46986943
[(3S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 125154744
(2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 118782792
4-bromo-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 4144460
[(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methanesulfonamide
CID 126451013
3-(hydroxymethyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 111443524
4-(2-amino-2-oxoethyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboxamide
CID 56814187
[1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 119071782
N-[2-(2-methylindol-1-yl)ethyl]-2,2-diphenylacetamide
CID 3473428

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(2-methylindol-1-yl)ethyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[2-(2-methylindol-1-yl)ethyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide (CID 126437362) is (3S)-N-[2-(2-methylindol-1-yl)ethyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[2-(2-methylindol-1-yl)ethyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[2-(2-methylindol-1-yl)ethyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide is Cc1cc2ccccc2n1CCNC(=O)N1CC[C@H](CS(N)(=O)=O)C1.
What is the InChIKey of (3S)-N-[2-(2-methylindol-1-yl)ethyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is ZDDBHWUSSDFAPG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-13-10-15-4-2-3-5-16(15)21(13)9-7-19-17(22)20-8-6-14(11-20)12-25(18,23)24/h2-5,10,14H,6-9,11-12H2,1H3,(H,19,22)(H2,18,23,24)/t14-/m0/s1.
What are the key properties of (3S)-N-[2-(2-methylindol-1-yl)ethyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
(3S)-N-[2-(2-methylindol-1-yl)ethyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(2-methylindol-1-yl)ethyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126437362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).