N-[2-[cyclohexyl(methyl)amino]ethyl]-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide

C19H27N3OS — CID 53191585

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide
SMILESCN(CCNC(=O)c1cc2cn(C3CC3)cc2s1)C1CCCCC1
InChIInChI=1S/C19H27N3OS/c1-21(15-5-3-2-4-6-15)10-9-20-19(23)17-11-14-12-22(16-7-8-16)13-18(14)24-17/h11-13,15-16H,2-10H2,1H3,(H,20,23)
InChIKeyDUNZEIMNXIXKGC-UHFFFAOYSA-N
MW345.51 g/mol
LogP4.03
Rot. Bonds6

About N-[2-[cyclohexyl(methyl)amino]ethyl]-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide

N-[2-[cyclohexyl(methyl)amino]ethyl]-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 53191585) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide
PubChem CID53191585
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide
SMILESCN(CCNC(=O)c1cc2cn(C3CC3)cc2s1)C1CCCCC1
InChIInChI=1S/C19H27N3OS/c1-21(15-5-3-2-4-6-15)10-9-20-19(23)17-11-14-12-22(16-7-8-16)13-18(14)24-17/h11-13,15-16H,2-10H2,1H3,(H,20,23)
InChIKeyDUNZEIMNXIXKGC-UHFFFAOYSA-N
XLogP4.03
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopentyl-N-[2-(N-ethylanilino)ethyl]thieno[2,3-c]pyrrole-2-carboxamide
CID 87054471
N-cycloheptyl-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide
CID 53191498
5-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide
CID 53191656
5-cyclopropyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide
CID 87054452
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 62977734
5-cyclopropyl-N-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrole-2-carboxamide
CID 53191518
N-[2-[cyclohexyl(methyl)amino]ethyl]thiophene-2-carboxamide
CID 86848703
N-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide
CID 103956034
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide
CID 121420012
7-chloro-N-[2-[cyclohexyl(methyl)amino]ethyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602751
(5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 53191630
(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 53191471

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide (CID 53191585) is N-[2-[cyclohexyl(methyl)amino]ethyl]-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide is CN(CCNC(=O)c1cc2cn(C3CC3)cc2s1)C1CCCCC1.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is DUNZEIMNXIXKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-21(15-5-3-2-4-6-15)10-9-20-19(23)17-11-14-12-22(16-7-8-16)13-18(14)24-17/h11-13,15-16H,2-10H2,1H3,(H,20,23).
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 345.51 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 53191585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).