N-[[4-[(R)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-5-methylthiophene-2-carboxamide

C22H29N3O2S2 — CID 98077255

IUPACN-[[4-[(R)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC2CCC([C@@H](NC(=O)C3CCC3)c3nccs3)CC2)s1
InChIInChI=1S/C22H29N3O2S2/c1-14-5-10-18(29-14)21(27)24-13-15-6-8-16(9-7-15)19(22-23-11-12-28-22)25-20(26)17-3-2-4-17/h5,10-12,15-17,19H,2-4,6-9,13H2,1H3,(H,24,27)(H,25,26)/t15?,16?,19-/m1/s1
InChIKeyDNARSYRBQFQWJO-LADRWXRNSA-N
MW431.63 g/mol
LogP4.71
Rot. Bonds7

About N-[[4-[(R)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-5-methylthiophene-2-carboxamide

N-[[4-[(R)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-5-methylthiophene-2-carboxamide (PubChem CID 98077255) has the molecular formula C22H29N3O2S2 and a molecular weight of 431.63 g/mol. Its IUPAC name is N-[[4-[(R)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(R)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-5-methylthiophene-2-carboxamide
PubChem CID98077255
Molecular FormulaC22H29N3O2S2
Molecular Weight431.63 g/mol
Exact Mass431.17
IUPAC NameN-[[4-[(R)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC2CCC([C@@H](NC(=O)C3CCC3)c3nccs3)CC2)s1
InChIInChI=1S/C22H29N3O2S2/c1-14-5-10-18(29-14)21(27)24-13-15-6-8-16(9-7-15)19(22-23-11-12-28-22)25-20(26)17-3-2-4-17/h5,10-12,15-17,19H,2-4,6-9,13H2,1H3,(H,24,27)(H,25,26)/t15?,16?,19-/m1/s1
InChIKeyDNARSYRBQFQWJO-LADRWXRNSA-N
XLogP4.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.63
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(S)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 98077263
N-[[4-[(S)-(cyclopropanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-3-fluoro-4-methylbenzamide
CID 98077276
N-[[4-[(S)-acetamido(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohexanecarboxamide
CID 98077180
N-[[4-[(R)-(cyclopropanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 98077259
N-[3-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]propyl]cyclobutanecarboxamide
CID 71978867
N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide
CID 97219025
(1R)-N-[[4-[(R)-(2,2-dimethylpropanoylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide
CID 98077240
N-[[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
CID 110241999
1-(cyclobutylmethyl)-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-methylurea
CID 95968026
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 124607694
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]urea
CID 96518480
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 100895196

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(R)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[[4-[(R)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-5-methylthiophene-2-carboxamide (CID 98077255) is N-[[4-[(R)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[(R)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[4-[(R)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC2CCC([C@@H](NC(=O)C3CCC3)c3nccs3)CC2)s1.
What is the InChIKey of N-[[4-[(R)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is DNARSYRBQFQWJO-LADRWXRNSA-N. The full InChI is InChI=1S/C22H29N3O2S2/c1-14-5-10-18(29-14)21(27)24-13-15-6-8-16(9-7-15)19(22-23-11-12-28-22)25-20(26)17-3-2-4-17/h5,10-12,15-17,19H,2-4,6-9,13H2,1H3,(H,24,27)(H,25,26)/t15?,16?,19-/m1/s1.
What are the key properties of N-[[4-[(R)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-5-methylthiophene-2-carboxamide?
N-[[4-[(R)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 431.63 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(R)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 98077255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).