N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzamide

C19H22N2O4S — CID 121178991

IUPACN-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzamide
SMILESCC(O)c1ccc(C2(CNC(=O)c3ccc([N+](=O)[O-])cc3)CCCC2)s1
InChIInChI=1S/C19H22N2O4S/c1-13(22)16-8-9-17(26-16)19(10-2-3-11-19)12-20-18(23)14-4-6-15(7-5-14)21(24)25/h4-9,13,22H,2-3,10-12H2,1H3,(H,20,23)
InChIKeySVLOLIBTOKFLDU-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.95
Rot. Bonds6

About N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzamide

N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzamide (PubChem CID 121178991) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzamide
PubChem CID121178991
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzamide
SMILESCC(O)c1ccc(C2(CNC(=O)c3ccc([N+](=O)[O-])cc3)CCCC2)s1
InChIInChI=1S/C19H22N2O4S/c1-13(22)16-8-9-17(26-16)19(10-2-3-11-19)12-20-18(23)14-4-6-15(7-5-14)21(24)25/h4-9,13,22H,2-3,10-12H2,1H3,(H,20,23)
InChIKeySVLOLIBTOKFLDU-UHFFFAOYSA-N
XLogP3.95
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 100720415
4-(dimethylamino)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 121178983
4-(diethylsulfamoyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 121179080
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]acetamide
CID 121178927
3,4-diethoxy-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 121179059
4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 16601996
2-fluoro-N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 100720519
2,4-dichloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 121179034
1-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-(4-methylphenyl)urea
CID 121179304
2-(2,5-dioxopyrrolidin-1-yl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]acetamide
CID 91817474
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121178967
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 91817506

Frequently Asked Questions

What is the IUPAC name of N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzamide?
The IUPAC name of N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzamide (CID 121178991) is N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzamide.
What is the SMILES notation for N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzamide?
The canonical SMILES for N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzamide is CC(O)c1ccc(C2(CNC(=O)c3ccc([N+](=O)[O-])cc3)CCCC2)s1.
What is the InChIKey of N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzamide?
The InChIKey is SVLOLIBTOKFLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13(22)16-8-9-17(26-16)19(10-2-3-11-19)12-20-18(23)14-4-6-15(7-5-14)21(24)25/h4-9,13,22H,2-3,10-12H2,1H3,(H,20,23).
What are the key properties of N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzamide?
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzamide has a molecular weight of 374.46 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzamide is sourced from PubChem (CID 121178991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).