N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropanecarbonylamino)-N-ethylbenzamide

C18H19ClN2O2S — CID 24655699

IUPACN-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropanecarbonylamino)-N-ethylbenzamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H19ClN2O2S/c1-2-21(11-15-9-10-16(19)24-15)18(23)13-5-7-14(8-6-13)20-17(22)12-3-4-12/h5-10,12H,2-4,11H2,1H3,(H,20,22)
InChIKeyUGBJFRODMXRYSU-UHFFFAOYSA-N
MW362.88 g/mol
LogP4.41
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropanecarbonylamino)-N-ethylbenzamide

N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropanecarbonylamino)-N-ethylbenzamide (PubChem CID 24655699) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropanecarbonylamino)-N-ethylbenzamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropanecarbonylamino)-N-ethylbenzamide
PubChem CID24655699
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropanecarbonylamino)-N-ethylbenzamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H19ClN2O2S/c1-2-21(11-15-9-10-16(19)24-15)18(23)13-5-7-14(8-6-13)20-17(22)12-3-4-12/h5-10,12H,2-4,11H2,1H3,(H,20,22)
InChIKeyUGBJFRODMXRYSU-UHFFFAOYSA-N
XLogP4.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 39911710
4-[[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetyl]amino]-N,N-diethylbenzamide
CID 9298098
4-(cyclopropanecarbonylamino)-N,N-dipropylbenzamide
CID 17196138
3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 34132033
3,5-diamino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 61116550
N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropylcarbamoylamino)-N-methylbenzamide
CID 39932630
1-N-(4-acetylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149468
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 66008961
4-(cyclohexanecarbonylamino)-N,N-dipropylbenzamide
CID 17196139
N-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 31987516
3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-ethyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24655711
4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N,N-diethylbenzamide
CID 51295036

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropanecarbonylamino)-N-ethylbenzamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropanecarbonylamino)-N-ethylbenzamide (CID 24655699) is N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropanecarbonylamino)-N-ethylbenzamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropanecarbonylamino)-N-ethylbenzamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropanecarbonylamino)-N-ethylbenzamide is CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropanecarbonylamino)-N-ethylbenzamide?
The InChIKey is UGBJFRODMXRYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c1-2-21(11-15-9-10-16(19)24-15)18(23)13-5-7-14(8-6-13)20-17(22)12-3-4-12/h5-10,12H,2-4,11H2,1H3,(H,20,22).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropanecarbonylamino)-N-ethylbenzamide?
N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropanecarbonylamino)-N-ethylbenzamide has a molecular weight of 362.88 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropanecarbonylamino)-N-ethylbenzamide is sourced from PubChem (CID 24655699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).