N-[3-(2-amino-4-tert-butyl-5-thiophen-2-ylthiophen-3-yl)phenyl]-2-[2-hydroxyethyl(methyl)amino]acetamide

C23H29N3O2S2 — CID 90935084

IUPACN-[3-(2-amino-4-tert-butyl-5-thiophen-2-ylthiophen-3-yl)phenyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
SMILESCN(CCO)CC(=O)Nc1cccc(-c2c(N)sc(-c3cccs3)c2C(C)(C)C)c1
InChIInChI=1S/C23H29N3O2S2/c1-23(2,3)20-19(22(24)30-21(20)17-9-6-12-29-17)15-7-5-8-16(13-15)25-18(28)14-26(4)10-11-27/h5-9,12-13,27H,10-11,14,24H2,1-4H3,(H,25,28)
InChIKeyQQMPIXOMTUDEQV-UHFFFAOYSA-N
MW443.64 g/mol
LogP4.89
Rot. Bonds7

About N-[3-(2-amino-4-tert-butyl-5-thiophen-2-ylthiophen-3-yl)phenyl]-2-[2-hydroxyethyl(methyl)amino]acetamide

N-[3-(2-amino-4-tert-butyl-5-thiophen-2-ylthiophen-3-yl)phenyl]-2-[2-hydroxyethyl(methyl)amino]acetamide (PubChem CID 90935084) has the molecular formula C23H29N3O2S2 and a molecular weight of 443.64 g/mol. Its IUPAC name is N-[3-(2-amino-4-tert-butyl-5-thiophen-2-ylthiophen-3-yl)phenyl]-2-[2-hydroxyethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-(2-amino-4-tert-butyl-5-thiophen-2-ylthiophen-3-yl)phenyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
PubChem CID90935084
Molecular FormulaC23H29N3O2S2
Molecular Weight443.64 g/mol
Exact Mass443.17
IUPAC NameN-[3-(2-amino-4-tert-butyl-5-thiophen-2-ylthiophen-3-yl)phenyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
SMILESCN(CCO)CC(=O)Nc1cccc(-c2c(N)sc(-c3cccs3)c2C(C)(C)C)c1
InChIInChI=1S/C23H29N3O2S2/c1-23(2,3)20-19(22(24)30-21(20)17-9-6-12-29-17)15-7-5-8-16(13-15)25-18(28)14-26(4)10-11-27/h5-9,12-13,27H,10-11,14,24H2,1-4H3,(H,25,28)
InChIKeyQQMPIXOMTUDEQV-UHFFFAOYSA-N
XLogP4.89
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.64
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-amino-4-tert-butyl-5-methylsulfanylthiophen-3-yl)phenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetamide
CID 91405410
N'-(3-thiophen-2-ylphenyl)oxamide
CID 151856111
1-(1-hydroxypentan-3-yl)-3-(3-thiophen-2-ylphenyl)urea
CID 111453355
(3-thiophen-2-ylanilino)methanol
CID 143026650
1-[(2S)-4-hydroxy-1-methoxy-2-methylbutan-2-yl]-3-(3-thiophen-2-ylphenyl)urea
CID 97019630
(2S)-3-hydroxy-2-[(3-thiophen-2-ylphenyl)carbamoylamino]propanoic acid
CID 154797426
3-[[2-(3-aminoanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 82224717
2-methyl-3-(methylamino)-N-(3-thiophen-2-ylphenyl)propanamide
CID 119708574
N-(3-aminophenyl)-2-[2-ethoxyethyl(methyl)amino]acetamide
CID 81052724
3,4-ditert-butyl-2,5-dithiophen-2-ylthiophene
CID 15778420
phenyl N-[3-(2-amino-4-tert-butyl-5-methylsulfanylthiophen-3-yl)phenyl]carbamate
CID 141049260
N-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683583

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-4-tert-butyl-5-thiophen-2-ylthiophen-3-yl)phenyl]-2-[2-hydroxyethyl(methyl)amino]acetamide?
The IUPAC name of N-[3-(2-amino-4-tert-butyl-5-thiophen-2-ylthiophen-3-yl)phenyl]-2-[2-hydroxyethyl(methyl)amino]acetamide (CID 90935084) is N-[3-(2-amino-4-tert-butyl-5-thiophen-2-ylthiophen-3-yl)phenyl]-2-[2-hydroxyethyl(methyl)amino]acetamide.
What is the SMILES notation for N-[3-(2-amino-4-tert-butyl-5-thiophen-2-ylthiophen-3-yl)phenyl]-2-[2-hydroxyethyl(methyl)amino]acetamide?
The canonical SMILES for N-[3-(2-amino-4-tert-butyl-5-thiophen-2-ylthiophen-3-yl)phenyl]-2-[2-hydroxyethyl(methyl)amino]acetamide is CN(CCO)CC(=O)Nc1cccc(-c2c(N)sc(-c3cccs3)c2C(C)(C)C)c1.
What is the InChIKey of N-[3-(2-amino-4-tert-butyl-5-thiophen-2-ylthiophen-3-yl)phenyl]-2-[2-hydroxyethyl(methyl)amino]acetamide?
The InChIKey is QQMPIXOMTUDEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S2/c1-23(2,3)20-19(22(24)30-21(20)17-9-6-12-29-17)15-7-5-8-16(13-15)25-18(28)14-26(4)10-11-27/h5-9,12-13,27H,10-11,14,24H2,1-4H3,(H,25,28).
What are the key properties of N-[3-(2-amino-4-tert-butyl-5-thiophen-2-ylthiophen-3-yl)phenyl]-2-[2-hydroxyethyl(methyl)amino]acetamide?
N-[3-(2-amino-4-tert-butyl-5-thiophen-2-ylthiophen-3-yl)phenyl]-2-[2-hydroxyethyl(methyl)amino]acetamide has a molecular weight of 443.64 g/mol, XLogP of 4.89, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-4-tert-butyl-5-thiophen-2-ylthiophen-3-yl)phenyl]-2-[2-hydroxyethyl(methyl)amino]acetamide is sourced from PubChem (CID 90935084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).