1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(thiophen-3-ylmethyl)urea

C16H21N3OS — CID 61340217

IUPAC1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(thiophen-3-ylmethyl)urea
SMILESCNC(C)c1cccc(NC(=O)N(C)Cc2ccsc2)c1
InChIInChI=1S/C16H21N3OS/c1-12(17-2)14-5-4-6-15(9-14)18-16(20)19(3)10-13-7-8-21-11-13/h4-9,11-12,17H,10H2,1-3H3,(H,18,20)
InChIKeyUGJLGOHTMQHGCF-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.69
Rot. Bonds5

About 1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(thiophen-3-ylmethyl)urea

1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(thiophen-3-ylmethyl)urea (PubChem CID 61340217) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(thiophen-3-ylmethyl)urea
PubChem CID61340217
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(thiophen-3-ylmethyl)urea
SMILESCNC(C)c1cccc(NC(=O)N(C)Cc2ccsc2)c1
InChIInChI=1S/C16H21N3OS/c1-12(17-2)14-5-4-6-15(9-14)18-16(20)19(3)10-13-7-8-21-11-13/h4-9,11-12,17H,10H2,1-3H3,(H,18,20)
InChIKeyUGJLGOHTMQHGCF-UHFFFAOYSA-N
XLogP3.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-ylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 61426804
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(thiophen-3-ylmethyl)urea
CID 61341427
N-[3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]phenyl]cyclopropanecarboxamide
CID 47033602
1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(2-methylbutyl)urea
CID 61339498
1-(2-ethoxyethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 81062754
1-(cyclopentylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 63657389
1-(3-methoxypropyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 63008742
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide
CID 43507778
1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 104553891
1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
CID 53016506
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
1-methyl-3-naphthalen-1-yl-1-(thiophen-3-ylmethyl)urea
CID 17467272

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(thiophen-3-ylmethyl)urea (CID 61340217) is 1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(thiophen-3-ylmethyl)urea is CNC(C)c1cccc(NC(=O)N(C)Cc2ccsc2)c1.
What is the InChIKey of 1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(thiophen-3-ylmethyl)urea?
The InChIKey is UGJLGOHTMQHGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-12(17-2)14-5-4-6-15(9-14)18-16(20)19(3)10-13-7-8-21-11-13/h4-9,11-12,17H,10H2,1-3H3,(H,18,20).
What are the key properties of 1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(thiophen-3-ylmethyl)urea?
1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(thiophen-3-ylmethyl)urea has a molecular weight of 303.43 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 61340217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).