N-[1-[2-hydroxyethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide

C18H26N4O3S — CID 135103072

IUPACN-[1-[2-hydroxyethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide
SMILESCc1[nH]cnc1CN(CCO)C(=O)C(CC(C)C)NC(=O)c1cccs1
InChIInChI=1S/C18H26N4O3S/c1-12(2)9-14(21-17(24)16-5-4-8-26-16)18(25)22(6-7-23)10-15-13(3)19-11-20-15/h4-5,8,11-12,14,23H,6-7,9-10H2,1-3H3,(H,19,20)(H,21,24)
InChIKeyZNIBCXDNWPGMSY-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.95
Rot. Bonds9

About N-[1-[2-hydroxyethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide

N-[1-[2-hydroxyethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide (PubChem CID 135103072) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[1-[2-hydroxyethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-hydroxyethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide
PubChem CID135103072
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC NameN-[1-[2-hydroxyethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide
SMILESCc1[nH]cnc1CN(CCO)C(=O)C(CC(C)C)NC(=O)c1cccs1
InChIInChI=1S/C18H26N4O3S/c1-12(2)9-14(21-17(24)16-5-4-8-26-16)18(25)22(6-7-23)10-15-13(3)19-11-20-15/h4-5,8,11-12,14,23H,6-7,9-10H2,1-3H3,(H,19,20)(H,21,24)
InChIKeyZNIBCXDNWPGMSY-UHFFFAOYSA-N
XLogP1.95
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-hydroxyethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[2-hydroxyethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide (CID 135103072) is N-[1-[2-hydroxyethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[2-hydroxyethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[2-hydroxyethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide is Cc1[nH]cnc1CN(CCO)C(=O)C(CC(C)C)NC(=O)c1cccs1.
What is the InChIKey of N-[1-[2-hydroxyethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide?
The InChIKey is ZNIBCXDNWPGMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-12(2)9-14(21-17(24)16-5-4-8-26-16)18(25)22(6-7-23)10-15-13(3)19-11-20-15/h4-5,8,11-12,14,23H,6-7,9-10H2,1-3H3,(H,19,20)(H,21,24).
What are the key properties of N-[1-[2-hydroxyethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide?
N-[1-[2-hydroxyethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 1.95, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-hydroxyethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 135103072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).