N-[cyclopentyl(thiophen-2-yl)methyl]-3-iodobenzamide

C17H18INOS — CID 63524576

IUPACN-[cyclopentyl(thiophen-2-yl)methyl]-3-iodobenzamide
SMILESO=C(NC(c1cccs1)C1CCCC1)c1cccc(I)c1
InChIInChI=1S/C17H18INOS/c18-14-8-3-7-13(11-14)17(20)19-16(12-5-1-2-6-12)15-9-4-10-21-15/h3-4,7-12,16H,1-2,5-6H2,(H,19,20)
InChIKeyMHJLKKGUUWHYBR-UHFFFAOYSA-N
MW411.31 g/mol
LogP5.01
Rot. Bonds4

About N-[cyclopentyl(thiophen-2-yl)methyl]-3-iodobenzamide

N-[cyclopentyl(thiophen-2-yl)methyl]-3-iodobenzamide (PubChem CID 63524576) has the molecular formula C17H18INOS and a molecular weight of 411.31 g/mol. Its IUPAC name is N-[cyclopentyl(thiophen-2-yl)methyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[cyclopentyl(thiophen-2-yl)methyl]-3-iodobenzamide
PubChem CID63524576
Molecular FormulaC17H18INOS
Molecular Weight411.31 g/mol
Exact Mass411.02
IUPAC NameN-[cyclopentyl(thiophen-2-yl)methyl]-3-iodobenzamide
SMILESO=C(NC(c1cccs1)C1CCCC1)c1cccc(I)c1
InChIInChI=1S/C17H18INOS/c18-14-8-3-7-13(11-14)17(20)19-16(12-5-1-2-6-12)15-9-4-10-21-15/h3-4,7-12,16H,1-2,5-6H2,(H,19,20)
InChIKeyMHJLKKGUUWHYBR-UHFFFAOYSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.31
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide
CID 51943755
N-[(R)-cyclopropyl(thiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 51484712
N-[cyclopentyl(thiophen-2-yl)methyl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 47031424
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 39612382
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 39029656
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
CID 94152755
2,5-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-3-carboxamide
CID 55689684
N-[cyclopentyl(thiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 46452344
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]furan-2-carboxamide
CID 39032515
4,5-dibromo-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 80534165
N-[2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42960858

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-3-iodobenzamide?
The IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-3-iodobenzamide (CID 63524576) is N-[cyclopentyl(thiophen-2-yl)methyl]-3-iodobenzamide.
What is the SMILES notation for N-[cyclopentyl(thiophen-2-yl)methyl]-3-iodobenzamide?
The canonical SMILES for N-[cyclopentyl(thiophen-2-yl)methyl]-3-iodobenzamide is O=C(NC(c1cccs1)C1CCCC1)c1cccc(I)c1.
What is the InChIKey of N-[cyclopentyl(thiophen-2-yl)methyl]-3-iodobenzamide?
The InChIKey is MHJLKKGUUWHYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INOS/c18-14-8-3-7-13(11-14)17(20)19-16(12-5-1-2-6-12)15-9-4-10-21-15/h3-4,7-12,16H,1-2,5-6H2,(H,19,20).
What are the key properties of N-[cyclopentyl(thiophen-2-yl)methyl]-3-iodobenzamide?
N-[cyclopentyl(thiophen-2-yl)methyl]-3-iodobenzamide has a molecular weight of 411.31 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(thiophen-2-yl)methyl]-3-iodobenzamide is sourced from PubChem (CID 63524576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).