N-[1-(2-methylpropyl)indol-4-yl]-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide

C20H22N6OS — CID 128963485

IUPACN-[1-(2-methylpropyl)indol-4-yl]-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide
SMILESCC(C)Cn1ccc2c(NC(=O)CC(c3ccsc3)n3cnnn3)cccc21
InChIInChI=1S/C20H22N6OS/c1-14(2)11-25-8-6-16-17(4-3-5-18(16)25)22-20(27)10-19(15-7-9-28-12-15)26-13-21-23-24-26/h3-9,12-14,19H,10-11H2,1-2H3,(H,22,27)
InChIKeyAWIAOLULTBOBHP-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.96
Rot. Bonds7

About N-[1-(2-methylpropyl)indol-4-yl]-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide

N-[1-(2-methylpropyl)indol-4-yl]-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide (PubChem CID 128963485) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)indol-4-yl]-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)indol-4-yl]-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide
PubChem CID128963485
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC NameN-[1-(2-methylpropyl)indol-4-yl]-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide
SMILESCC(C)Cn1ccc2c(NC(=O)CC(c3ccsc3)n3cnnn3)cccc21
InChIInChI=1S/C20H22N6OS/c1-14(2)11-25-8-6-16-17(4-3-5-18(16)25)22-20(27)10-19(15-7-9-28-12-15)26-13-21-23-24-26/h3-9,12-14,19H,10-11H2,1-2H3,(H,22,27)
InChIKeyAWIAOLULTBOBHP-UHFFFAOYSA-N
XLogP3.96
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-N-quinolin-8-yl-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide
CID 125433329
(3R)-N-(1-methylpyrazol-3-yl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide
CID 125431338
2-(4-acetamidoindol-1-yl)-N-[1-(2-methylpropyl)indol-4-yl]acetamide
CID 71827915
(3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide
CID 125433444
(3R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide
CID 125433965
(2S)-N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)propanamide
CID 125431413
(3R)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125434250
2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[1-(2-methylpropyl)indol-4-yl]acetamide
CID 71825841
N-[1-(2-methylpropyl)indol-4-yl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
CID 121240638
2-[4-(2-methylpropanoylamino)indol-1-yl]acetic acid
CID 154846912
3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[1-(2-methylpropyl)indol-4-yl]propanamide
CID 71825635
(3R)-N-pyridin-2-yl-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125124241

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropyl)indol-4-yl]-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[1-(2-methylpropyl)indol-4-yl]-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide (CID 128963485) is N-[1-(2-methylpropyl)indol-4-yl]-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[1-(2-methylpropyl)indol-4-yl]-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[1-(2-methylpropyl)indol-4-yl]-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide is CC(C)Cn1ccc2c(NC(=O)CC(c3ccsc3)n3cnnn3)cccc21.
What is the InChIKey of N-[1-(2-methylpropyl)indol-4-yl]-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide?
The InChIKey is AWIAOLULTBOBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6OS/c1-14(2)11-25-8-6-16-17(4-3-5-18(16)25)22-20(27)10-19(15-7-9-28-12-15)26-13-21-23-24-26/h3-9,12-14,19H,10-11H2,1-2H3,(H,22,27).
What are the key properties of N-[1-(2-methylpropyl)indol-4-yl]-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide?
N-[1-(2-methylpropyl)indol-4-yl]-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide has a molecular weight of 394.50 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)indol-4-yl]-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 128963485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).