N-[2-[3-[2-(methanesulfonamido)ethyl]-1H-indol-5-yl]ethyl]formamide

C14H19N3O3S — CID 14209532

IUPACN-[2-[3-[2-(methanesulfonamido)ethyl]-1H-indol-5-yl]ethyl]formamide
SMILESCS(=O)(=O)NCCc1c[nH]c2ccc(CCNC=O)cc12
InChIInChI=1S/C14H19N3O3S/c1-21(19,20)17-7-5-12-9-16-14-3-2-11(8-13(12)14)4-6-15-10-18/h2-3,8-10,16-17H,4-7H2,1H3,(H,15,18)
InChIKeyGTPBMXDNEBCELO-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.55
Rot. Bonds8

About N-[2-[3-[2-(methanesulfonamido)ethyl]-1H-indol-5-yl]ethyl]formamide

N-[2-[3-[2-(methanesulfonamido)ethyl]-1H-indol-5-yl]ethyl]formamide (PubChem CID 14209532) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[2-[3-[2-(methanesulfonamido)ethyl]-1H-indol-5-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[3-[2-(methanesulfonamido)ethyl]-1H-indol-5-yl]ethyl]formamide
PubChem CID14209532
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[2-[3-[2-(methanesulfonamido)ethyl]-1H-indol-5-yl]ethyl]formamide
SMILESCS(=O)(=O)NCCc1c[nH]c2ccc(CCNC=O)cc12
InChIInChI=1S/C14H19N3O3S/c1-21(19,20)17-7-5-12-9-16-14-3-2-11(8-13(12)14)4-6-15-10-18/h2-3,8-10,16-17H,4-7H2,1H3,(H,15,18)
InChIKeyGTPBMXDNEBCELO-UHFFFAOYSA-N
XLogP0.55
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[5-(methylaminosulfanylmethyl)-1H-indol-3-yl]ethyl]formamide
CID 169169160
N-[(3-propyl-1H-indol-5-yl)methyl]methanesulfonamide
CID 174336078
N-[6-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]oxy]hexyl]methanesulfonamide
CID 70100959
N-methyl-1-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methanesulfonamide
CID 10826690
N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethyl]methanesulfonamide;hydrochloride
CID 19817120
N-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexyl]methanesulfonamide;hydrochloride
CID 22097965
1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-(2-phenylethyl)methanesulfonamide;hydrochloride
CID 13286067
N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide
CID 14181006
3-[5-(methylsulfonylmethyl)-1H-indol-3-yl]propan-1-ol
CID 19921664
1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[2-(methanesulfonamido)ethyl]guanidine
CID 111972314
N-[2-(5-chloro-1H-indol-3-yl)ethyl]butane-1-sulfonamide
CID 113083694
2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid
CID 70391610

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-(methanesulfonamido)ethyl]-1H-indol-5-yl]ethyl]formamide?
The IUPAC name of N-[2-[3-[2-(methanesulfonamido)ethyl]-1H-indol-5-yl]ethyl]formamide (CID 14209532) is N-[2-[3-[2-(methanesulfonamido)ethyl]-1H-indol-5-yl]ethyl]formamide.
What is the SMILES notation for N-[2-[3-[2-(methanesulfonamido)ethyl]-1H-indol-5-yl]ethyl]formamide?
The canonical SMILES for N-[2-[3-[2-(methanesulfonamido)ethyl]-1H-indol-5-yl]ethyl]formamide is CS(=O)(=O)NCCc1c[nH]c2ccc(CCNC=O)cc12.
What is the InChIKey of N-[2-[3-[2-(methanesulfonamido)ethyl]-1H-indol-5-yl]ethyl]formamide?
The InChIKey is GTPBMXDNEBCELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-21(19,20)17-7-5-12-9-16-14-3-2-11(8-13(12)14)4-6-15-10-18/h2-3,8-10,16-17H,4-7H2,1H3,(H,15,18).
What are the key properties of N-[2-[3-[2-(methanesulfonamido)ethyl]-1H-indol-5-yl]ethyl]formamide?
N-[2-[3-[2-(methanesulfonamido)ethyl]-1H-indol-5-yl]ethyl]formamide has a molecular weight of 309.39 g/mol, XLogP of 0.55, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-(methanesulfonamido)ethyl]-1H-indol-5-yl]ethyl]formamide is sourced from PubChem (CID 14209532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).