1-cyclopentyl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(thiophen-3-ylmethyl)urea

C19H27N3O2S — CID 122557630

IUPAC1-cyclopentyl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(thiophen-3-ylmethyl)urea
SMILESCN(C)C(CNC(=O)N(Cc1ccsc1)C1CCCC1)c1ccco1
InChIInChI=1S/C19H27N3O2S/c1-21(2)17(18-8-5-10-24-18)12-20-19(23)22(16-6-3-4-7-16)13-15-9-11-25-14-15/h5,8-11,14,16-17H,3-4,6-7,12-13H2,1-2H3,(H,20,23)
InChIKeyVCQKGVXRFMZYJO-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.10
Rot. Bonds7

About 1-cyclopentyl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(thiophen-3-ylmethyl)urea

1-cyclopentyl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(thiophen-3-ylmethyl)urea (PubChem CID 122557630) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(thiophen-3-ylmethyl)urea
PubChem CID122557630
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name1-cyclopentyl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(thiophen-3-ylmethyl)urea
SMILESCN(C)C(CNC(=O)N(Cc1ccsc1)C1CCCC1)c1ccco1
InChIInChI=1S/C19H27N3O2S/c1-21(2)17(18-8-5-10-24-18)12-20-19(23)22(16-6-3-4-7-16)13-15-9-11-25-14-15/h5,8-11,14,16-17H,3-4,6-7,12-13H2,1-2H3,(H,20,23)
InChIKeyVCQKGVXRFMZYJO-UHFFFAOYSA-N
XLogP4.10
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 41454031
N'-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 18589097
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
(2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 78971232
2-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110621193
1-(furan-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 43528156
(2R)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-2-carboxamide
CID 104913652
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(oxan-2-yl)acetamide
CID 110621230
1-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 65465992
1-cyclopentyl-1-(furan-2-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 95151771
1-cyclopentyl-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(thiophen-3-ylmethyl)urea
CID 122559774
trans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide
CID 124726367

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-cyclopentyl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(thiophen-3-ylmethyl)urea (CID 122557630) is 1-cyclopentyl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-cyclopentyl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(thiophen-3-ylmethyl)urea is CN(C)C(CNC(=O)N(Cc1ccsc1)C1CCCC1)c1ccco1.
What is the InChIKey of 1-cyclopentyl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(thiophen-3-ylmethyl)urea?
The InChIKey is VCQKGVXRFMZYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-21(2)17(18-8-5-10-24-18)12-20-19(23)22(16-6-3-4-7-16)13-15-9-11-25-14-15/h5,8-11,14,16-17H,3-4,6-7,12-13H2,1-2H3,(H,20,23).
What are the key properties of 1-cyclopentyl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(thiophen-3-ylmethyl)urea?
1-cyclopentyl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(thiophen-3-ylmethyl)urea has a molecular weight of 361.51 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 122557630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).