N-(1-methylindol-5-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide

C20H19N3OS — CID 121240660

IUPACN-(1-methylindol-5-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
SMILESCn1ccc2cc(NC(=O)CC(c3ccsc3)n3cccc3)ccc21
InChIInChI=1S/C20H19N3OS/c1-22-10-6-15-12-17(4-5-18(15)22)21-20(24)13-19(16-7-11-25-14-16)23-8-2-3-9-23/h2-12,14,19H,13H2,1H3,(H,21,24)
InChIKeySSFIMFRAQHYXAB-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.66
Rot. Bonds5

About N-(1-methylindol-5-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide

N-(1-methylindol-5-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide (PubChem CID 121240660) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(1-methylindol-5-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(1-methylindol-5-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
PubChem CID121240660
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC NameN-(1-methylindol-5-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
SMILESCn1ccc2cc(NC(=O)CC(c3ccsc3)n3cccc3)ccc21
InChIInChI=1S/C20H19N3OS/c1-22-10-6-15-12-17(4-5-18(15)22)21-20(24)13-19(16-7-11-25-14-16)23-8-2-3-9-23/h2-12,14,19H,13H2,1H3,(H,21,24)
InChIKeySSFIMFRAQHYXAB-UHFFFAOYSA-N
XLogP4.66
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128962816
(3R)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125434027
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128963508
(3S)-N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125434169
(3R)-N-pyridin-2-yl-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125124241
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128963487
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128963509
3-pyrrol-1-yl-3-thiophen-3-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 128962918
(3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125432083
(3R)-N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125434074
(3R)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125431106
3-amino-3-methyl-N-(1-methylindol-5-yl)butanamide
CID 110838357

Frequently Asked Questions

What is the IUPAC name of N-(1-methylindol-5-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(1-methylindol-5-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide (CID 121240660) is N-(1-methylindol-5-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(1-methylindol-5-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(1-methylindol-5-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide is Cn1ccc2cc(NC(=O)CC(c3ccsc3)n3cccc3)ccc21.
What is the InChIKey of N-(1-methylindol-5-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The InChIKey is SSFIMFRAQHYXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-22-10-6-15-12-17(4-5-18(15)22)21-20(24)13-19(16-7-11-25-14-16)23-8-2-3-9-23/h2-12,14,19H,13H2,1H3,(H,21,24).
What are the key properties of N-(1-methylindol-5-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
N-(1-methylindol-5-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide has a molecular weight of 349.46 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindol-5-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 121240660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).