N-[4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-4-oxobutyl]thiophene-2-carboxamide

C20H32N2O2S — CID 33295067

IUPACN-[4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-4-oxobutyl]thiophene-2-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)CCCNC(=O)c2cccs2)CC1
InChIInChI=1S/C20H32N2O2S/c1-4-20(2,3)15-9-11-16(12-10-15)22-18(23)8-5-13-21-19(24)17-7-6-14-25-17/h6-7,14-16H,4-5,8-13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyRGHWLRHQWJOXLV-UHFFFAOYSA-N
MW364.56 g/mol
LogP4.37
Rot. Bonds8

About N-[4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-4-oxobutyl]thiophene-2-carboxamide

N-[4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-4-oxobutyl]thiophene-2-carboxamide (PubChem CID 33295067) has the molecular formula C20H32N2O2S and a molecular weight of 364.56 g/mol. Its IUPAC name is N-[4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-4-oxobutyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-4-oxobutyl]thiophene-2-carboxamide
PubChem CID33295067
Molecular FormulaC20H32N2O2S
Molecular Weight364.56 g/mol
Exact Mass364.22
IUPAC NameN-[4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-4-oxobutyl]thiophene-2-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)CCCNC(=O)c2cccs2)CC1
InChIInChI=1S/C20H32N2O2S/c1-4-20(2,3)15-9-11-16(12-10-15)22-18(23)8-5-13-21-19(24)17-7-6-14-25-17/h6-7,14-16H,4-5,8-13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyRGHWLRHQWJOXLV-UHFFFAOYSA-N
XLogP4.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180198
N-[4-[3-(cyclopropylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 26110881
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 111334739
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
3-(cyclopropylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 60867060
N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride
CID 120598256
N-[4-[[1-(2-methoxyphenyl)piperidin-3-yl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 86965609
(3S)-3-(carbamoylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]-3-thiophen-2-ylpropanamide
CID 26130837
3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 43696457
N-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 78793932
7-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]heptanamide
CID 43698547

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-4-oxobutyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-4-oxobutyl]thiophene-2-carboxamide (CID 33295067) is N-[4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-4-oxobutyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-4-oxobutyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-4-oxobutyl]thiophene-2-carboxamide is CCC(C)(C)C1CCC(NC(=O)CCCNC(=O)c2cccs2)CC1.
What is the InChIKey of N-[4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-4-oxobutyl]thiophene-2-carboxamide?
The InChIKey is RGHWLRHQWJOXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2S/c1-4-20(2,3)15-9-11-16(12-10-15)22-18(23)8-5-13-21-19(24)17-7-6-14-25-17/h6-7,14-16H,4-5,8-13H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-4-oxobutyl]thiophene-2-carboxamide?
N-[4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-4-oxobutyl]thiophene-2-carboxamide has a molecular weight of 364.56 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-4-oxobutyl]thiophene-2-carboxamide is sourced from PubChem (CID 33295067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).