1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-[[3-(2-methylpropoxy)phenyl]methyl]urea

C19H25ClN2O2S — CID 60580699

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-[[3-(2-methylpropoxy)phenyl]methyl]urea
SMILESCCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(OCC(C)C)c1
InChIInChI=1S/C19H25ClN2O2S/c1-4-22(12-17-8-9-18(20)25-17)19(23)21-11-15-6-5-7-16(10-15)24-13-14(2)3/h5-10,14H,4,11-13H2,1-3H3,(H,21,23)
InChIKeyXTOKTJJBKCHZMX-UHFFFAOYSA-N
MW380.94 g/mol
LogP5.17
Rot. Bonds8

About 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-[[3-(2-methylpropoxy)phenyl]methyl]urea

1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-[[3-(2-methylpropoxy)phenyl]methyl]urea (PubChem CID 60580699) has the molecular formula C19H25ClN2O2S and a molecular weight of 380.94 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-[[3-(2-methylpropoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-[[3-(2-methylpropoxy)phenyl]methyl]urea
PubChem CID60580699
Molecular FormulaC19H25ClN2O2S
Molecular Weight380.94 g/mol
Exact Mass380.13
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-[[3-(2-methylpropoxy)phenyl]methyl]urea
SMILESCCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(OCC(C)C)c1
InChIInChI=1S/C19H25ClN2O2S/c1-4-22(12-17-8-9-18(20)25-17)19(23)21-11-15-6-5-7-16(10-15)24-13-14(2)3/h5-10,14H,4,11-13H2,1-3H3,(H,21,23)
InChIKeyXTOKTJJBKCHZMX-UHFFFAOYSA-N
XLogP5.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.94
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-[[3-(2-methylpropoxy)phenyl]methyl]urea with MolForge

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(pyridin-3-ylmethyl)urea
CID 47125820
3-[[3-(2-methylpropoxy)phenyl]methyl]-1-prop-2-enyl-1-(thiophen-2-ylmethyl)urea
CID 60580734
2-chloro-N-[[3-(2-methylpropoxy)phenyl]methyl]acetamide
CID 166403692
1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(furan-2-ylmethyl)urea
CID 47125656
1,1-diethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 60547827
3-[(5-chlorothiophen-2-yl)methyl]-1,1-diethylurea
CID 115584114
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenoxypropanamide
CID 42891269
tert-butyl N-[[3-(2-methylpropoxy)phenyl]methyl]carbamate
CID 138586671
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide
CID 119304653
1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea
CID 110301185
1,1,3-tris[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 175674842
1-(1-hydroxybutan-2-yl)-3-[[3-(2-methylpropoxy)phenyl]methyl]urea
CID 110904194

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-[[3-(2-methylpropoxy)phenyl]methyl]urea?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-[[3-(2-methylpropoxy)phenyl]methyl]urea (CID 60580699) is 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-[[3-(2-methylpropoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-[[3-(2-methylpropoxy)phenyl]methyl]urea?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-[[3-(2-methylpropoxy)phenyl]methyl]urea is CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(OCC(C)C)c1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-[[3-(2-methylpropoxy)phenyl]methyl]urea?
The InChIKey is XTOKTJJBKCHZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2S/c1-4-22(12-17-8-9-18(20)25-17)19(23)21-11-15-6-5-7-16(10-15)24-13-14(2)3/h5-10,14H,4,11-13H2,1-3H3,(H,21,23).
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-[[3-(2-methylpropoxy)phenyl]methyl]urea?
1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-[[3-(2-methylpropoxy)phenyl]methyl]urea has a molecular weight of 380.94 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-[[3-(2-methylpropoxy)phenyl]methyl]urea is sourced from PubChem (CID 60580699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).