N-cyclopropyl-3-iodo-N-(thiophen-3-ylmethyl)benzamide

C15H14INOS — CID 61400460

IUPACN-cyclopropyl-3-iodo-N-(thiophen-3-ylmethyl)benzamide
SMILESO=C(c1cccc(I)c1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C15H14INOS/c16-13-3-1-2-12(8-13)15(18)17(14-4-5-14)9-11-6-7-19-10-11/h1-3,6-8,10,14H,4-5,9H2
InChIKeyRZZYILFSEKVRPI-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.16
Rot. Bonds4

About N-cyclopropyl-3-iodo-N-(thiophen-3-ylmethyl)benzamide

N-cyclopropyl-3-iodo-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 61400460) has the molecular formula C15H14INOS and a molecular weight of 383.25 g/mol. Its IUPAC name is N-cyclopropyl-3-iodo-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-iodo-N-(thiophen-3-ylmethyl)benzamide
PubChem CID61400460
Molecular FormulaC15H14INOS
Molecular Weight383.25 g/mol
Exact Mass382.98
IUPAC NameN-cyclopropyl-3-iodo-N-(thiophen-3-ylmethyl)benzamide
SMILESO=C(c1cccc(I)c1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C15H14INOS/c16-13-3-1-2-12(8-13)15(18)17(14-4-5-14)9-11-6-7-19-10-11/h1-3,6-8,10,14H,4-5,9H2
InChIKeyRZZYILFSEKVRPI-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-3-iodo-N-(pyridin-4-ylmethyl)benzamide
CID 60674055
N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 72717897
6-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
CID 113346712
N-cyclopropyl-2-(dimethylamino)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 51095237
N-cyclopropyl-3-[4-(methylamino)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)benzamide
CID 122565811
N-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide
CID 72717904
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzamide
CID 55138412
N-cyclopropyl-2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 62174755
N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide
CID 51055390
2-bromo-N-cyclopropyl-6-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 114559566
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]benzamide
CID 64592060

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-iodo-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-3-iodo-N-(thiophen-3-ylmethyl)benzamide (CID 61400460) is N-cyclopropyl-3-iodo-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-iodo-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-3-iodo-N-(thiophen-3-ylmethyl)benzamide is O=C(c1cccc(I)c1)N(Cc1ccsc1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-iodo-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is RZZYILFSEKVRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INOS/c16-13-3-1-2-12(8-13)15(18)17(14-4-5-14)9-11-6-7-19-10-11/h1-3,6-8,10,14H,4-5,9H2.
What are the key properties of N-cyclopropyl-3-iodo-N-(thiophen-3-ylmethyl)benzamide?
N-cyclopropyl-3-iodo-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 383.25 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-iodo-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 61400460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).