1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea

C17H21ClN2O2S — CID 86943132

IUPAC1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
SMILESCOc1cccc(CC(C)NC(=O)NC(C)c2ccc(Cl)s2)c1
InChIInChI=1S/C17H21ClN2O2S/c1-11(9-13-5-4-6-14(10-13)22-3)19-17(21)20-12(2)15-7-8-16(18)23-15/h4-8,10-12H,9H2,1-3H3,(H2,19,20,21)
InChIKeySUKLUPLZLGNXHU-UHFFFAOYSA-N
MW352.89 g/mol
LogP4.40
Rot. Bonds6

About 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea

1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea (PubChem CID 86943132) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
PubChem CID86943132
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC Name1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
SMILESCOc1cccc(CC(C)NC(=O)NC(C)c2ccc(Cl)s2)c1
InChIInChI=1S/C17H21ClN2O2S/c1-11(9-13-5-4-6-14(10-13)22-3)19-17(21)20-12(2)15-7-8-16(18)23-15/h4-8,10-12H,9H2,1-3H3,(H2,19,20,21)
InChIKeySUKLUPLZLGNXHU-UHFFFAOYSA-N
XLogP4.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943088
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943111
N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide
CID 97213130
1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea
CID 86943125
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943626
1-hexyl-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943106
1-(3-chlorophenyl)-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 17181664
N-(2-chlorophenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide
CID 96532468
(1R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81375983

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea (CID 86943132) is 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea is COc1cccc(CC(C)NC(=O)NC(C)c2ccc(Cl)s2)c1.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
The InChIKey is SUKLUPLZLGNXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2S/c1-11(9-13-5-4-6-14(10-13)22-3)19-17(21)20-12(2)15-7-8-16(18)23-15/h4-8,10-12H,9H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea has a molecular weight of 352.89 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea is sourced from PubChem (CID 86943132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).