N-[3-(4-methylpent-1-en-2-yl)thiophen-2-yl]benzamide

C17H19NOS — CID 18331726

IUPACN-[3-(4-methylpent-1-en-2-yl)thiophen-2-yl]benzamide
SMILESC=C(CC(C)C)c1ccsc1NC(=O)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-12(2)11-13(3)15-9-10-20-17(15)18-16(19)14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3,(H,18,19)
InChIKeyDKIZGNPQHPPPOX-UHFFFAOYSA-N
MW285.41 g/mol
LogP5.06
Rot. Bonds5

About N-[3-(4-methylpent-1-en-2-yl)thiophen-2-yl]benzamide

N-[3-(4-methylpent-1-en-2-yl)thiophen-2-yl]benzamide (PubChem CID 18331726) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[3-(4-methylpent-1-en-2-yl)thiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-(4-methylpent-1-en-2-yl)thiophen-2-yl]benzamide
PubChem CID18331726
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-[3-(4-methylpent-1-en-2-yl)thiophen-2-yl]benzamide
SMILESC=C(CC(C)C)c1ccsc1NC(=O)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-12(2)11-13(3)15-9-10-20-17(15)18-16(19)14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3,(H,18,19)
InChIKeyDKIZGNPQHPPPOX-UHFFFAOYSA-N
XLogP5.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.41
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzamidothiophene-3-carboxylic acid
CID 16639461
2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid
CID 43357483
2-[(4-bromobenzoyl)amino]thiophene-3-carboxylic acid
CID 16777500
2-[(3-acetamidobenzoyl)amino]thiophene-3-carboxylic acid
CID 43171537
2-[(3-carbamoylbenzoyl)amino]thiophene-3-carboxylic acid
CID 60858679
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] benzoate
CID 25387908
2-acetamido-N-phenylthiophene-3-carboxamide
CID 901593
2-[(4-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide
CID 3356370
N-benzyl-2-(3-methylsulfanylbutanoylamino)thiophene-3-carboxamide
CID 143265172
ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167124
2-[(3-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide
CID 7164117
N-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide
CID 23548812

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpent-1-en-2-yl)thiophen-2-yl]benzamide?
The IUPAC name of N-[3-(4-methylpent-1-en-2-yl)thiophen-2-yl]benzamide (CID 18331726) is N-[3-(4-methylpent-1-en-2-yl)thiophen-2-yl]benzamide.
What is the SMILES notation for N-[3-(4-methylpent-1-en-2-yl)thiophen-2-yl]benzamide?
The canonical SMILES for N-[3-(4-methylpent-1-en-2-yl)thiophen-2-yl]benzamide is C=C(CC(C)C)c1ccsc1NC(=O)c1ccccc1.
What is the InChIKey of N-[3-(4-methylpent-1-en-2-yl)thiophen-2-yl]benzamide?
The InChIKey is DKIZGNPQHPPPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-12(2)11-13(3)15-9-10-20-17(15)18-16(19)14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3,(H,18,19).
What are the key properties of N-[3-(4-methylpent-1-en-2-yl)thiophen-2-yl]benzamide?
N-[3-(4-methylpent-1-en-2-yl)thiophen-2-yl]benzamide has a molecular weight of 285.41 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpent-1-en-2-yl)thiophen-2-yl]benzamide is sourced from PubChem (CID 18331726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).