N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-benzothiophene-2-carboxamide

C18H26N2OS — CID 18160860

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NCCN(C(C)C)C(C)C)sc2ccccc12
InChIInChI=1S/C18H26N2OS/c1-12(2)20(13(3)4)11-10-19-18(21)17-14(5)15-8-6-7-9-16(15)22-17/h6-9,12-13H,10-11H2,1-5H3,(H,19,21)
InChIKeyQQPIVPZTDYCSFC-UHFFFAOYSA-N
MW318.49 g/mol
LogP4.06
Rot. Bonds6

About N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-benzothiophene-2-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 18160860) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID18160860
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NCCN(C(C)C)C(C)C)sc2ccccc12
InChIInChI=1S/C18H26N2OS/c1-12(2)20(13(3)4)11-10-19-18(21)17-14(5)15-8-6-7-9-16(15)22-17/h6-9,12-13H,10-11H2,1-5H3,(H,19,21)
InChIKeyQQPIVPZTDYCSFC-UHFFFAOYSA-N
XLogP4.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-benzothiophene-2-carboxamide 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,3-dimethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 78844061
3-methyl-N-[3-(methylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide
CID 47068455
3-methyl-4-[(3-methyl-1-benzothiophene-2-carbonyl)amino]butanoic acid
CID 81064657
N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 31115481
3-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-1-benzothiophene-2-carboxamide
CID 106050602
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 27645794
N-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8868004
dimethyl-[[4-[[(3-methyl-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]azanium
CID 8533507
2-[butan-2-yl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 60830090
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 110889129
2-[methyl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 43241821
(2R)-3,3-dimethyl-2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]butanoic acid
CID 103926754

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-benzothiophene-2-carboxamide (CID 18160860) is N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)NCCN(C(C)C)C(C)C)sc2ccccc12.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is QQPIVPZTDYCSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2OS/c1-12(2)20(13(3)4)11-10-19-18(21)17-14(5)15-8-6-7-9-16(15)22-17/h6-9,12-13H,10-11H2,1-5H3,(H,19,21).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-benzothiophene-2-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 318.49 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 18160860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).