N-(cyclohepta-1,3,6-trien-1-ylmethyl)-5-(2-methylbutyl)thiophene-2-carboxamide;molecular hydrogen

C18H25NOS — CID 143625416

IUPACN-(cyclohepta-1,3,6-trien-1-ylmethyl)-5-(2-methylbutyl)thiophene-2-carboxamide;molecular hydrogen
SMILESCCC(C)Cc1ccc(C(=O)NCC2=CC=CCC=C2)s1.[H][H]
InChIInChI=1S/C18H23NOS.H2/c1-3-14(2)12-16-10-11-17(21-16)18(20)19-13-15-8-6-4-5-7-9-15;/h4,6-11,14H,3,5,12-13H2,1-2H3,(H,19,20);1H
InChIKeyYOKONKUYUWRAEG-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.76
Rot. Bonds6

About N-(cyclohepta-1,3,6-trien-1-ylmethyl)-5-(2-methylbutyl)thiophene-2-carboxamide;molecular hydrogen

N-(cyclohepta-1,3,6-trien-1-ylmethyl)-5-(2-methylbutyl)thiophene-2-carboxamide;molecular hydrogen (PubChem CID 143625416) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is N-(cyclohepta-1,3,6-trien-1-ylmethyl)-5-(2-methylbutyl)thiophene-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-(cyclohepta-1,3,6-trien-1-ylmethyl)-5-(2-methylbutyl)thiophene-2-carboxamide;molecular hydrogen
PubChem CID143625416
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC NameN-(cyclohepta-1,3,6-trien-1-ylmethyl)-5-(2-methylbutyl)thiophene-2-carboxamide;molecular hydrogen
SMILESCCC(C)Cc1ccc(C(=O)NCC2=CC=CCC=C2)s1.[H][H]
InChIInChI=1S/C18H23NOS.H2/c1-3-14(2)12-16-10-11-17(21-16)18(20)19-13-15-8-6-4-5-7-9-15;/h4,6-11,14H,3,5,12-13H2,1-2H3,(H,19,20);1H
InChIKeyYOKONKUYUWRAEG-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(cyclohepta-1,3,6-trien-1-ylmethyl)-5-(2-methylbutyl)thiophene-2-carboxamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-5-(2-methylbutyl)thiophene-2-carboxamide
CID 143246003
5-ethyl-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031120
5-[(5-ethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 82009173
3-cyclohepta-1,3,6-trien-1-yl-2-(methylamino)propanoic acid
CID 123974730
4-[[(5-ethylthiophene-2-carbonyl)amino]methyl]benzoic acid
CID 43358625
5-[[(4-propan-2-ylbenzoyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110529
5-(acetamidomethyl)-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120832947
5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
CID 47399039
N-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide
CID 32775594
2-[[(5-ethylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324276
N-(2-aminophenyl)-5-[(2-methylbutylcarbamoylamino)methyl]thiophene-2-carboxamide
CID 10044082
2-methyl-5-(2-methylbutyl)thiophene
CID 88977809

Frequently Asked Questions

What is the IUPAC name of N-(cyclohepta-1,3,6-trien-1-ylmethyl)-5-(2-methylbutyl)thiophene-2-carboxamide;molecular hydrogen?
The IUPAC name of N-(cyclohepta-1,3,6-trien-1-ylmethyl)-5-(2-methylbutyl)thiophene-2-carboxamide;molecular hydrogen (CID 143625416) is N-(cyclohepta-1,3,6-trien-1-ylmethyl)-5-(2-methylbutyl)thiophene-2-carboxamide;molecular hydrogen.
What is the SMILES notation for N-(cyclohepta-1,3,6-trien-1-ylmethyl)-5-(2-methylbutyl)thiophene-2-carboxamide;molecular hydrogen?
The canonical SMILES for N-(cyclohepta-1,3,6-trien-1-ylmethyl)-5-(2-methylbutyl)thiophene-2-carboxamide;molecular hydrogen is CCC(C)Cc1ccc(C(=O)NCC2=CC=CCC=C2)s1.[H][H].
What is the InChIKey of N-(cyclohepta-1,3,6-trien-1-ylmethyl)-5-(2-methylbutyl)thiophene-2-carboxamide;molecular hydrogen?
The InChIKey is YOKONKUYUWRAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS.H2/c1-3-14(2)12-16-10-11-17(21-16)18(20)19-13-15-8-6-4-5-7-9-15;/h4,6-11,14H,3,5,12-13H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(cyclohepta-1,3,6-trien-1-ylmethyl)-5-(2-methylbutyl)thiophene-2-carboxamide;molecular hydrogen?
N-(cyclohepta-1,3,6-trien-1-ylmethyl)-5-(2-methylbutyl)thiophene-2-carboxamide;molecular hydrogen has a molecular weight of 303.47 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohepta-1,3,6-trien-1-ylmethyl)-5-(2-methylbutyl)thiophene-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 143625416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).